ethyl 4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[[1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S/c1-2-29-21(28)25-12-10-15(11-13-25)22-20(27)18-23-19(17-9-6-14-30-17)26(24-18)16-7-4-3-5-8-16/h3-9,14-15H,2,10-13H2,1H3,(H,22,27)