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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C17H17ClN2O3S/c18-14-7-6-12(10-15(14)19)17(22)23-11-16(21)20-8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11,19H2,(H,20,21)