[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C)OCC

InChI

InChI=1S/C22H27NO5S/c1-5-26-19-10-8-17(12-20(19)27-6-2)23-21(24)13-28-22(25)14-29-18-9-7-15(3)16(4)11-18/h7-12H,5-6,13-14H2,1-4H3,(H,23,24)