ethyl 2-[5-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-(tert-butylcarbamoylamino)-2-keto-ethyl]thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C19H31N5O4S MolecularWeight: 425.54554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C19H31N5O4S/c1-5-28-16(26)11-14-22-23-18(24(14)13-9-7-6-8-10-13)29-12-15(25)20-17(27)21-19(2,3)4/h13H,5-12H2,1-4H3,(H2,20,21,25,27)