[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC=C)OC

InChI

InChI=1S/C20H21NO5S/c1-4-11-27-18-8-6-5-7-15(18)21-19(22)13-26-20(23)14-9-10-16(24-2)17(12-14)25-3/h4-10,12H,1,11,13H2,2-3H3,(H,21,22)