2-methyl-3-[[2-(phenylmethyl)-3-pyridin-3-ylcarbonylsulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-3-[[2-(phenylmethyl)-3-pyridin-3-ylcarbonylsulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[1-oxo-2-[[[oxo(3-pyridinyl)methyl]thio]methyl]-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-(nicotinoylthio)propanoyl]amino]-2-methyl-benzoic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C24H22N2O4S/c1-16-20(23(28)29)10-5-11-21(16)26-22(27)19(13-17-7-3-2-4-8-17)15-31-24(30)18-9-6-12-25-14-18/h2-12,14,19H,13,15H2,1H3,(H,26,27)(H,28,29)