3-methyl-4-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[4-(methylsulfanylmethyl)benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[4-(methylsulfanylmethyl)benzoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[4-[(methylthio)methyl]benzoyl]amino]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)CSC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)CSC

InChI

InChI=1S/C17H17NO3S/c1-11-9-14(17(20)21)7-8-15(11)18-16(19)13-5-3-12(4-6-13)10-22-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)