ethyl 1-[[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[2-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C28H29N5O3S2 MolecularWeight: 547.69156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3S2/c1-2-36-27(35)21-12-9-15-32(17-21)26(34)23-18-37-25(29-23)19-38-28-31-30-24(16-20-10-5-3-6-11-20)33(28)22-13-7-4-8-14-22/h3-8,10-11,13-14,18,21H,2,9,12,15-17,19H2,1H3