[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-(2,6-diethylanilino)-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-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: 3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C25H24FNO3S MolecularWeight: 437.526363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C25H24FNO3S/c1-3-18-7-5-8-19(4-2)24(18)27-23(28)16-30-25(29)21(22-9-6-14-31-22)15-17-10-12-20(26)13-11-17/h5-15H,3-4,16H2,1-2H3,(H,27,28)