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

Systemtic Name: ethyl 4-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]-3-oxo-butanoate CAS Name: 4-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-3-oxobutanoate Traditional Name: 3-keto-4-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]butyric acid ethyl ester Formula: C18H24N4O6S2 MolecularWeight: 456.53636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6S2/c1-3-28-16(24)10-14(23)12-21-18(25)22(15-7-5-9-29-15)17(19-21)13-6-4-8-20(11-13)30(2,26)27/h5,7,9,13H,3-4,6,8,10-12H2,1-2H3