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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCSC2=CC=CC=C2Cl

InChI

InChI=1S/C17H16ClNO3S/c1-11-10-12(17(21)22)6-7-14(11)19-16(20)8-9-23-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)