3-methyl-4-(3-phenylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(3-phenylsulfanylpropanoylamino)benzoic acid Openeye Name: 3-methyl-4-(3-phenylsulfanylpropanoylamino)benzoic acid CAS Name: 3-methyl-4-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid IUPAC Name: 3-methyl-4-(3-phenylsulfanylpropanoylamino)benzoic acid Traditional Name: 3-methyl-4-[3-(phenylthio)propanoylamino]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)CCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-12-11-13(17(20)21)7-8-15(12)18-16(19)9-10-22-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)