[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C19H16FNO3S MolecularWeight: 357.398643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)C2=CC(=CC=C2)F)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)C2=CC(=CC=C2)F)N3C=CC=C3)C

InChI

InChI=1S/C19H16FNO3S/c1-12-13(2)25-18(21-8-3-4-9-21)17(12)19(23)24-11-16(22)14-6-5-7-15(20)10-14/h3-10H,11H2,1-2H3