[5-[(4,4-dimethyl-5H-1,3-thiazol-2-yl)amino]pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [5-[(4,4-dimethyl-5H-1,3-thiazol-2-yl)amino]pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-[(4,4-dimethyl-5H-thiazol-2-yl)amino]-2-pyridyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-[(4,4-dimethyl-5H-thiazol-2-yl)amino]-2-pyridinyl] ester IUPAC Name: [5-[(4,4-dimethyl-5H-1,3-thiazol-2-yl)amino]pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-[(4,4-dimethyl-2-thiazolin-2-yl)amino]-2-pyridyl] ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC(=N1)NC2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1(CSC(=N1)NC2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C20H22N4O2S/c1-20(2)13-27-18(23-20)22-16-7-8-17(21-11-16)26-19(25)24-10-9-14-5-3-4-6-15(14)12-24/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)