[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

InChI

InChI=1S/C22H22N2O4S2/c1-15-7-9-16(10-8-15)21-23-19(14-29-21)13-28-22(25)20-11-17-5-3-4-6-18(17)12-24(20)30(2,26)27/h3-10,14,20H,11-13H2,1-2H3