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

Systemtic Name: ethyl 2-[2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[3-(1-methylsulfonyl-3-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[5-keto-3-(1-mesyl-3-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]acetyl]amino]acetic acid ethyl ester Formula: C18H25N5O6S2 MolecularWeight: 471.551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O6S2/c1-3-29-16(25)10-19-14(24)12-22-18(26)23(15-7-5-9-30-15)17(20-22)13-6-4-8-21(11-13)31(2,27)28/h5,7,9,13H,3-4,6,8,10-12H2,1-2H3,(H,19,24)