[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(3-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-4-thiazolecarboxylic 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-(3-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)thiazole-4-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CSC(=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CSC(=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN2O3S/c22-17-7-3-6-15(10-17)20-23-18(13-28-20)21(26)27-12-19(25)24-9-8-14-4-1-2-5-16(14)11-24/h1-7,10,13H,8-9,11-12H2