[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCCC2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCCC2=CC=CS2)OC

InChI

InChI=1S/C20H25NO5S/c1-24-17-9-8-15(13-18(17)25-2)10-11-21-19(22)14-26-20(23)7-3-5-16-6-4-12-27-16/h4,6,8-9,12-13H,3,5,7,10-11,14H2,1-2H3,(H,21,22)