[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C19H15ClFNO3S MolecularWeight: 391.843703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClFNO3S/c1-10-4-3-5-14(11(10)2)22-16(23)9-25-19(24)18-17(20)13-7-6-12(21)8-15(13)26-18/h3-8H,9H2,1-2H3,(H,22,23)