4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-methylbenzoic acid Traditional Name: 4-[2-[(4-chlorophenyl)thio]propanoylamino]-3-methyl-benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3S/c1-10-9-12(17(21)22)3-8-15(10)19-16(20)11(2)23-14-6-4-13(18)5-7-14/h3-9,11H,1-2H3,(H,19,20)(H,21,22)