[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H16FNO3S3 MolecularWeight: 409.517943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NCCSCC3=CC=CS3)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NCCSCC3=CC=CS3)F

InChI

InChI=1S/C18H16FNO3S3/c19-14-4-1-5-15-13(14)9-16(26-15)18(22)23-10-17(21)20-6-8-24-11-12-3-2-7-25-12/h1-5,7,9H,6,8,10-11H2,(H,20,21)