[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-24-16-11-15(12-17(13-16)25-2)20(23)26-14-19(22)21-9-6-10-27-18-7-4-3-5-8-18/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3,(H,21,22)