methyl 4-chloranyl-3-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]benzoate Openeye Name: methyl 4-chloro-3-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4-chloro-3-[[2-phenyl-2-(phenylthio)acetyl]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)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

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