[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C21H17ClN2O3S/c22-16-11-10-14(12-17(16)23)21(26)27-13-20(25)24-18-8-4-5-9-19(18)28-15-6-2-1-3-7-15/h1-12H,13,23H2,(H,24,25)