[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H13FN2O3S MolecularWeight: 368.381523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C19H13FN2O3S/c1-11(18(23)22-13-5-2-4-12(8-13)10-21)25-19(24)17-9-14-15(20)6-3-7-16(14)26-17/h2-9,11H,1H3,(H,22,23)