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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)[C@H]3CC4=CC=CC=C4CN3S(=O)(=O)C

InChI

InChI=1S/C22H23N3O4S2/c1-15-7-9-18(10-8-15)23-22-24-19(14-30-22)13-29-21(26)20-11-16-5-3-4-6-17(16)12-25(20)31(2,27)28/h3-10,14,20H,11-13H2,1-2H3,(H,23,24)/t20-/m1/s1