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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylate CAS Name: 2-[(4-methylphenoxy)methyl]-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-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22N2O4S/c1-16-6-8-19(9-7-16)28-13-21-24-20(15-30-21)23(27)29-14-22(26)25-11-10-17-4-2-3-5-18(17)12-25/h2-9,15H,10-14H2,1H3