[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)Cl)OC

InChI

InChI=1S/C19H20ClNO5S/c1-24-16-11-13(10-15(20)18(16)25-2)19(23)26-12-17(22)21-8-9-27-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,22)