2-cyclopentyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-cyclopentyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-cyclopentyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-cyclopentyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-cyclopentyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-cyclopentyl-1-keto-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H19NO3S MolecularWeight: 341.42406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C19H19NO3S/c21-18-14-9-4-3-8-13(14)16(19(22)23)17(15-10-5-11-24-15)20(18)12-6-1-2-7-12/h3-5,8-12,16-17H,1-2,6-7H2,(H,22,23)