[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H15ClFNO5S MolecularWeight: 423.842503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OC

InChI

InChI=1S/C19H15ClFNO5S/c1-25-13-6-4-11(8-14(13)26-2)22-16(23)9-27-19(24)18-17(20)12-5-3-10(21)7-15(12)28-18/h3-8H,9H2,1-2H3,(H,22,23)