methyl 4-chloranyl-3-[[4-(phenylsulfanylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[4-(phenylsulfanylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[4-[(phenylthio)methyl]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[4-[(phenylthio)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C22H18ClNO3S/c1-27-22(26)17-11-12-19(23)20(13-17)24-21(25)16-9-7-15(8-10-16)14-28-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,25)