5-[[[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[3-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[3-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[3-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[3-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H20ClNO4S MolecularWeight: 441.9272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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