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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C15H15NO3S/c17-12(11-5-3-7-16-11)9-19-15(18)14-8-10-4-1-2-6-13(10)20-14/h3,5,7-8,16H,1-2,4,6,9H2