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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O3S/c22-17-7-5-15(6-8-17)20-23-18(13-28-20)21(26)27-12-19(25)24-10-9-14-3-1-2-4-16(14)11-24/h1-8,13H,9-12H2