[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C20H22N2O6S/c1-26-16-9-4-13(10-17(16)27-2)20(25)21-11-19(24)28-12-18(23)22-14-5-7-15(29-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,23)