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

Systemtic Name: ethyl 3-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]-2-oxidanylidene-propanoate Openeye Name: ethyl 3-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]-2-oxo-propanoate CAS Name: 3-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-2-oxopropanoate Traditional Name: 2-keto-3-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]propionic acid ethyl ester Formula: C17H22N4O6S2 MolecularWeight: 442.50978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CN1C(=O)N(C(=N1)C2CCCN(C2)S(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C(=O)CN1C(=O)N(C(=N1)C2CCCN(C2)S(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C17H22N4O6S2/c1-3-27-16(23)13(22)11-20-17(24)21(14-7-5-9-28-14)15(18-20)12-6-4-8-19(10-12)29(2,25)26/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3