5-[[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H20ClNO4S MolecularWeight: 441.9272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H20ClNO4S/c1-29-21-11-4-16(12-20(21)23(27)28)13-25-22(26)17-5-2-15(3-6-17)14-30-19-9-7-18(24)8-10-19/h2-12H,13-14H2,1H3,(H,25,26)(H,27,28)