[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-2-propenoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C(=CC2=CC=CS2)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3)OC

InChI

InChI=1S/C23H23NO5S2/c1-27-19-8-7-16(13-20(19)28-2)9-10-24-22(25)15-29-23(26)18(21-6-4-12-31-21)14-17-5-3-11-30-17/h3-8,11-14H,9-10,15H2,1-2H3,(H,24,25)/b18-14+