[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-methyl-2-(2-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-thiophen-2-yl-5-thiazolecarboxylic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-thienyl)thiazole-5-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H20N2O3S2/c1-13-18(28-19(22-13)17-8-5-11-27-17)21(25)26-14(2)20(24)23-10-9-15-6-3-4-7-16(15)12-23/h3-8,11,14H,9-10,12H2,1-2H3