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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCSC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO5S/c1-25-18-9-8-16(14-19(18)26-2)10-12-22-20(23)15-27-21(24)11-13-28-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,22,23)