[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(2-pyrimidin-2-ylthiazol-4-yl)acetate CAS Name: 2-[2-(2-pyrimidinyl)-4-thiazolyl]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(2-pyrimidyl)thiazol-4-yl]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC3=CSC(=N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC3=CSC(=N3)C4=NC=CC=N4

InChI

InChI=1S/C20H18N4O3S/c25-17(24-9-6-14-4-1-2-5-15(14)11-24)12-27-18(26)10-16-13-28-20(23-16)19-21-7-3-8-22-19/h1-5,7-8,13H,6,9-12H2