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

Systemtic Name: ethyl 3-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]-2-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-methyl-3-(1-methylsulfonyl-4-piperidyl)-5-oxo-1,2,4-triazol-1-yl]-2-oxo-propanoate CAS Name: 3-[4-methyl-3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-methyl-3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-1,2,4-triazol-1-yl]-2-oxopropanoate Traditional Name: 2-keto-3-[5-keto-3-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-1-yl]propionic acid ethyl ester Formula: C14H22N4O6S MolecularWeight: 374.41268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CN1C(=O)N(C(=N1)C2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C(=O)CN1C(=O)N(C(=N1)C2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C14H22N4O6S/c1-4-24-13(20)11(19)9-18-14(21)16(2)12(15-18)10-5-7-17(8-6-10)25(3,22)23/h10H,4-9H2,1-3H3