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

Systemtic Name: ethyl 4-oxidanylidene-4-[3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]butanoate Openeye Name: ethyl 4-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-piperidyl]-4-oxo-butanoate CAS Name: 4-oxo-4-[3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-1-piperidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-[3-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidino]-4-keto-butyric acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCCC(C1)C2=NN=C(S2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCCC(C1)C2=NN=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-2-26-19(25)11-10-18(24)23-12-6-9-16(14-23)20-22-21-17(27-20)13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3