[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H20N2O4S/c1-14(23)22-9-8-15-5-2-3-7-17(15)18(22)11-20(25)26-13-19(24)21-12-16-6-4-10-27-16/h2-10,18H,11-13H2,1H3,(H,21,24)