[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C22H19ClN2O4S/c1-28-19-12-17(24)16(23)11-15(19)22(27)29-13-21(26)25-18-9-5-6-10-20(18)30-14-7-3-2-4-8-14/h2-12H,13,24H2,1H3,(H,25,26)