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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)Cl)OC

InChI

InChI=1S/C20H22ClNO5S/c1-25-17-12-14(11-16(21)19(17)26-2)20(24)27-13-18(23)22-9-6-10-28-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,22,23)