3-methyl-4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[[2-(phenylthio)nicotinoyl]amino]benzoic acid Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O3S/c1-13-12-14(20(24)25)9-10-17(13)22-18(23)16-8-5-11-21-19(16)26-15-6-3-2-4-7-15/h2-12H,1H3,(H,22,23)(H,24,25)