methyl 4-chloranyl-3-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[(2-benzylsulfanylbenzoyl)amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[oxo-[2-(phenylmethylthio)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-benzylsulfanylbenzoyl)amino]-4-chlorobenzoate Traditional Name: 3-[[2-(benzylthio)benzoyl]amino]-4-chloro-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=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

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