[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-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] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H21NO3S3 MolecularWeight: 395.55924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C18H21NO3S3/c20-17(19-7-9-23-12-14-5-3-8-24-14)11-22-18(21)16-10-13-4-1-2-6-15(13)25-16/h3,5,8,10H,1-2,4,6-7,9,11-12H2,(H,19,20)