ethyl 4-[3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-piperidinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidino]butyric acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCCC(C1)C2=NN=C(S2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCCC(C1)C2=NN=C(S2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O4S/c1-3-27-18(25)11-10-17(24)23-12-4-5-15(13-23)20-22-21-19(28-20)14-6-8-16(26-2)9-7-14/h6-9,15H,3-5,10-13H2,1-2H3