[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C22H27NO5S/c1-15-5-7-18(11-16(15)2)29-10-9-22(25)28-14-21(24)23-13-17-6-8-19(26-3)20(12-17)27-4/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,23,24)