ethyl 4-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-methyl-3-(1-methylsulfonyl-3-piperidyl)-5-oxo-1,2,4-triazol-1-yl]-3-oxo-butanoate CAS Name: 4-[4-methyl-3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,2,4-triazol-1-yl]-3-oxobutanoate Traditional Name: 3-keto-4-[5-keto-3-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-1-yl]butyric acid ethyl ester Formula: C15H24N4O6S MolecularWeight: 388.43926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CN1C(=O)N(C(=N1)C2CCCN(C2)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)CC(=O)CN1C(=O)N(C(=N1)C2CCCN(C2)S(=O)(=O)C)C

InChI

InChI=1S/C15H24N4O6S/c1-4-25-13(21)8-12(20)10-19-15(22)17(2)14(16-19)11-6-5-7-18(9-11)26(3,23)24/h11H,4-10H2,1-3H3