[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)OCC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)OCC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H22N2O3S2/c24-18(22-10-9-15-6-5-13-27-15)14-26-21(25)19-16-7-1-2-8-17(16)28-20(19)23-11-3-4-12-23/h3-6,11-13H,1-2,7-10,14H2,(H,22,24)