methyl 5-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]pentanoate

Systemtic Name: methyl 5-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]pentanoate Openeye Name: methyl 5-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]pentanoate CAS Name: 5-[5-[4-(4-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]pentanoate Traditional Name: 5-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]valeric acid methyl ester Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=NN=C(S1)C2=CC=C(C=C2)C3CCNCC3

Isomeric SMILES

COC(=O)CCCCC1=NN=C(S1)C2=CC=C(C=C2)C3CCNCC3

InChI

InChI=1S/C19H25N3O2S/c1-24-18(23)5-3-2-4-17-21-22-19(25-17)16-8-6-14(7-9-16)15-10-12-20-13-11-15/h6-9,15,20H,2-5,10-13H2,1H3