3-methyl-4-(2-phenylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(2-phenylsulfanylpropanoylamino)benzoic acid Openeye Name: 3-methyl-4-(2-phenylsulfanylpropanoylamino)benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(phenylthio)propyl]amino]benzoic acid IUPAC Name: 3-methyl-4-(2-phenylsulfanylpropanoylamino)benzoic acid Traditional Name: 3-methyl-4-[2-(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)C(C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC=C2

InChI

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