[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S2/c1-27-17-8-7-16(12-18(17)28-2)31(25,26)21-10-9-20(24)29-13-19(23)22-14-5-4-6-15(11-14)30-3/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,22,23)