methyl 3-[5-[(Z)-[4-ethanoylsulfanyl-1-(triphenylmethyl)piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]propanoate

Systemtic Name: methyl 3-[5-[(Z)-[4-ethanoylsulfanyl-1-(triphenylmethyl)piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]propanoate Openeye Name: methyl 3-[5-[(Z)-(4-acetylsulfanyl-1-trityl-3-piperidylidene)methyl]triazol-1-yl]propanoate CAS Name: 3-[5-[(Z)-[4-(acetylthio)-1-(triphenylmethyl)-3-piperidinylidene]methyl]-1-triazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(Z)-(4-acetylsulfanyl-1-tritylpiperidin-3-ylidene)methyl]triazol-1-yl]propanoate Traditional Name: 3-[5-[(Z)-[4-(acetylthio)-1-trityl-3-piperidylidene]methyl]triazol-1-yl]propionic acid methyl ester Formula: C33H34N4O3S MolecularWeight: 566.71306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=CN=NN2CCC(=O)OC)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=CN=NN2CCC(=O)OC)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H34N4O3S/c1-25(38)41-31-18-20-36(24-26(31)22-30-23-34-35-37(30)21-19-32(39)40-2)33(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-17,22-23,31H,18-21,24H2,1-2H3/b26-22-