[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C18H11FN2O3S MolecularWeight: 354.354943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C18H11FN2O3S/c19-14-2-1-3-15-13(14)8-16(25-15)18(23)24-10-17(22)21-12-6-4-11(9-20)5-7-12/h1-8H,10H2,(H,21,22)