methyl 2-[5-[4-(triphenylmethyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-[4-(triphenylmethyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: methyl 2-[5-(4-trityl-1-piperidyl)-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-[4-(triphenylmethyl)-1-piperidinyl]-1,3,4-thiadiazol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-tritylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-(4-tritylpiperidino)-1,3,4-thiadiazol-2-yl]acetic acid methyl ester Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN=C(S1)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CC1=NN=C(S1)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S/c1-34-27(33)21-26-30-31-28(35-26)32-19-17-25(18-20-32)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25H,17-21H2,1H3