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3-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid

3-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid

Systemtic Name:3-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid
Openeye Name:3-[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]butanoylamino]benzoic acid
CAS Name:3-[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxobutyl]amino]benzoic acid
IUPAC Name:3-[2-(3-cyano-6-methylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid
Traditional Name:3-[2-[(3-cyano-6-methyl-2-pyridyl)thio]butanoylamino]benzoic acid
Formula: C18H17N3O3S
MolecularWeight: 355.41088
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=C(C=CC(=N2)C)C#N


Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=C(C=CC(=N2)C)C#N


InChI

InChI=1S/C18H17N3O3S/c1-3-15(25-17-13(10-19)8-7-11(2)20-17)16(22)21-14-6-4-5-12(9-14)18(23)24/h4-9,15H,3H2,1-2H3,(H,21,22)(H,23,24)


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