CHEBI:121600 - 2-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester

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ChEBI Name 2-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester ChEBI ID CHEBI:121600 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H16ClN3O3S Net Charge 0 Average Mass 353.825 Monoisotopic Mass 353.06009 InChI InChI=1S/C15H16ClN3O3S/c1-19-7-9(16)12(18-19)13(20)17-14-11(15(21)22-2)8-5-3-4-6-10(8)23-14/h7H,3-6H2,1-2H3,(H,17,20) InChIKey VXGYSHUXSLXNGW-UHFFFAOYSA-N SMILES CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester (CHEBI:121600) is a thiophenecarboxylic acid (CHEBI:48436) Manual Xref Database LSM-33043 LINCS View more database links