[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic 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-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H21N3O3S/c1-29-22-23-13-19(25(22)18-9-3-2-4-10-18)21(27)28-15-20(26)24-12-11-16-7-5-6-8-17(16)14-24/h2-10,13H,11-12,14-15H2,1H3