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

Systemtic Name: methyl 2-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H15NO4S/c1-22-17(21)13-9-11-5-2-3-6-12(11)10-18(13)16(20)15(19)14-7-4-8-23-14/h2-8,13H,9-10H2,1H3