3-pyridin-3-ylpropyl 2-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 2-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 2-[2-oxo-2-(2-thienyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(1,2-dioxo-2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-(2-oxo-2-thiophen-2-ylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-keto-2-(2-thienyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(=O)C3=CC=CS3)C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C(=O)C3=CC=CS3)C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C24H22N2O4S/c27-22(21-10-5-13-31-21)23(28)26-16-19-9-2-1-8-18(19)14-20(26)24(29)30-12-4-7-17-6-3-11-25-15-17/h1-3,5-6,8-11,13,15,20H,4,7,12,14,16H2