2-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-oxidanylidene-2-thiophen-2-yl-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(2-thienyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1,2-dioxo-2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-oxo-2-thiophen-2-ylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-keto-2-(2-thienyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H13NO4S MolecularWeight: 315.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S/c18-14(13-6-3-7-22-13)15(19)17-9-11-5-2-1-4-10(11)8-12(17)16(20)21/h1-7,12H,8-9H2,(H,20,21)