(2-oxidanylidene-2-pyridin-4-yl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyridin-4-yl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-pyridyl)ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-oxo-2-pyridin-4-ylethyl) ester IUPAC Name: (2-oxo-2-pyridin-4-ylethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(4-pyridyl)ethyl] ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c18-13(11-5-7-17-8-6-11)10-20-16(19)15-9-12-3-1-2-4-14(12)21-15/h5-9H,1-4,10H2