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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)Cl)N

InChI

InChI=1S/C18H19ClN2O4S/c1-24-16-10-15(20)14(19)9-13(16)18(23)25-11-17(22)21-7-8-26-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11,20H2,1H3,(H,21,22)