[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H9FN2O3S2 MolecularWeight: 360.382663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C=C(S2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC2=C(C=C1F)C=C(S2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C16H9FN2O3S2/c17-11-1-2-12-10(5-11)6-13(24-12)16(21)22-8-14(20)19-15-9(7-18)3-4-23-15/h1-6H,8H2,(H,19,20)