[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-ethylphenyl)-4-methyl-5-thiazolecarboxylic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-ethylphenyl)-4-methyl-thiazole-5-carboxylic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)OCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C

InChI

InChI=1S/C26H28N2O5S/c1-5-17-6-8-18(9-7-17)25-27-16(2)24(34-25)26(30)33-15-23(29)28-11-10-19-12-21(31-3)22(32-4)13-20(19)14-28/h6-9,12-13H,5,10-11,14-15H2,1-4H3