ethyl 4-[5-[(E)-[4-ethanoylsulfanyl-1-(triphenylmethyl)piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]butanoate

Systemtic Name: ethyl 4-[5-[(E)-[4-ethanoylsulfanyl-1-(triphenylmethyl)piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]butanoate Openeye Name: ethyl 4-[5-[(E)-(4-acetylsulfanyl-1-trityl-3-piperidylidene)methyl]triazol-1-yl]butanoate CAS Name: 4-[5-[(E)-[4-(acetylthio)-1-(triphenylmethyl)-3-piperidinylidene]methyl]-1-triazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]butanoate Traditional Name: 4-[5-[(E)-[4-(acetylthio)-1-trityl-3-piperidylidene]methyl]triazol-1-yl]butyric acid ethyl ester Formula: C35H38N4O3S MolecularWeight: 594.76622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=CN=N1)C=C2CN(CCC2SC(=O)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CCCN1C(=CN=N1)/C=C/2\CN(CCC2SC(=O)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H38N4O3S/c1-3-42-34(41)20-13-22-39-32(25-36-37-39)24-28-26-38(23-21-33(28)43-27(2)40)35(29-14-7-4-8-15-29,30-16-9-5-10-17-30)31-18-11-6-12-19-31/h4-12,14-19,24-25,33H,3,13,20-23,26H2,1-2H3/b28-24+