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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCSC2=CC=CC=C2Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCSC2=CC=CC=C2Cl)OC

InChI

InChI=1S/C20H22ClNO5S/c1-25-16-8-7-14(11-17(16)26-2)12-22-19(23)13-27-20(24)9-10-28-18-6-4-3-5-15(18)21/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)