[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C19H16FNO3S MolecularWeight: 357.398643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)C

InChI

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