methyl 4-[[4-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-7-yl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: methyl 4-[[4-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-7-yl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride Openeye Name: methyl 4-[[4-(o-tolyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-7-carbonyl]amino]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[[[4-(2-methylphenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-7-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[[4-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-7-carbonyl]amino]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[[4-(o-tolyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-7-carbonyl]amino]cyclohexanecarboxylic acid methyl ester dihydrochloride Formula: C22H29Cl2N3O3S MolecularWeight: 486.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(C(CN2)C(=O)NC4CCC(CC4)C(=O)OC)N=CS3.Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1C2C3=C(C(CN2)C(=O)NC4CCC(CC4)C(=O)OC)N=CS3.Cl.Cl

InChI

InChI=1S/C22H27N3O3S.2ClH/c1-13-5-3-4-6-16(13)18-20-19(24-12-29-20)17(11-23-18)21(26)25-15-9-7-14(8-10-15)22(27)28-2;;/h3-6,12,14-15,17-18,23H,7-11H2,1-2H3,(H,25,26);2*1H