[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H16FNO3S2 MolecularWeight: 389.463643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C19H16FNO3S2/c20-14-6-7-16-13(10-14)11-17(26-16)19(23)24-12-18(22)21-8-9-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2,(H,21,22)