ethyl 1-[(2-methyl-6-oxidanyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-methyl-6-oxidanyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(6-hydroxy-2-methyl-thiazolo[3,2-b][1,2,4]triazol-5-yl)-(p-tolyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(4-methylphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(6-hydroxy-2-methyl-thiazolo[3,2-b][1,2,4]triazol-5-yl)-(p-tolyl)methyl]isonipecotic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)C)C3=C(N4C(=NC(=N4)C)S3)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)C)C3=C(N4C(=NC(=N4)C)S3)O

InChI

InChI=1S/C21H26N4O3S/c1-4-28-20(27)16-9-11-24(12-10-16)17(15-7-5-13(2)6-8-15)18-19(26)25-21(29-18)22-14(3)23-25/h5-8,16-17,26H,4,9-12H2,1-3H3