[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-(2,5-dimethylanilino)-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-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: 3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C23H20FNO3S MolecularWeight: 409.473203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C23H20FNO3S/c1-15-5-6-16(2)20(12-15)25-22(26)14-28-23(27)19(21-4-3-11-29-21)13-17-7-9-18(24)10-8-17/h3-13H,14H2,1-2H3,(H,25,26)