2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-thiophen-2-yl-ethanone; ethanedioic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-thiophen-2-yl-ethanone; ethanedioic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-thienyl)ethanone; oxalic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone; oxalic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone; oxalic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-thienyl)ethanone; oxalic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15NOS.C2H2O4/c17-14(15-6-3-9-18-15)11-16-8-7-12-4-1-2-5-13(12)10-16;3-1(4)2(5)6/h1-6,9H,7-8,10-11H2;(H,3,4)(H,5,6)