[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)thiazol-4-yl]methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(3-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4O3S/c1-29-20-4-2-3-18(11-20)22-26-19(15-31-22)14-30-23(28)17-7-9-27(10-8-17)21-6-5-16(12-24)13-25-21/h2-6,11,13,15,17H,7-10,14H2,1H3