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

Systemtic Name: ethyl 1-[[2-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]oxazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]oxazole-4-carbonyl]nipecotic acid ethyl ester Formula: C29H31N5O5S MolecularWeight: 561.65194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O5S/c1-3-38-28(36)21-10-7-15-33(17-21)27(35)24-18-39-26(30-24)19-40-29-32-31-25(16-20-8-5-4-6-9-20)34(29)22-11-13-23(37-2)14-12-22/h4-6,8-9,11-14,18,21H,3,7,10,15-17,19H2,1-2H3