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Molecule : TIH

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1
2	InChIKey	InChI	1.03	WTOFYLAWDLQMBZ-LURJTMIESA-N
3	SMILES	ACDLabs	10.04	O=C(O)C(N)Cc1sccc1
4	SMILES	CACTVS	3.341	N[CH](Cc1sccc1)C(O)=O
5	SMILES	OpenEye OEToolkits	1.5.0	c1cc(sc1)CC(C(=O)O)N
6	Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1sccc1)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(sc1)C[C@@H](C(=O)O)N