[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoate CAS Name: 3-(4-fluorophenyl)-2-thiophen-2-yl-2-propenoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: 3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C23H20FNO5S MolecularWeight: 441.472003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=CS3)OC

InChI

InChI=1S/C23H20FNO5S/c1-28-19-10-9-17(13-20(19)29-2)25-22(26)14-30-23(27)18(21-4-3-11-31-21)12-15-5-7-16(24)8-6-15/h3-13H,14H2,1-2H3,(H,25,26)