(2-oxidanylidene-2-pyridin-3-yl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyridin-3-yl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(3-pyridyl)ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(3-pyridinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyridin-3-ylethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c18-13(12-5-3-7-17-9-12)10-20-16(19)15-8-11-4-1-2-6-14(11)21-15/h3,5,7-9H,1-2,4,6,10H2