[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)OC

InChI

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