tert-butyl 6-[(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]-3-methylsulfanyl-1,2,4-triazine-5-carboxylate

Systemtic Name: tert-butyl 6-[(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]-3-methylsulfanyl-1,2,4-triazine-5-carboxylate Openeye Name: tert-butyl 6-[(3S)-4-tert-butoxy-3-(tert-butoxycarbonylamino)-4-oxo-butyl]-3-methylsulfanyl-1,2,4-triazine-5-carboxylate CAS Name: 6-[(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutyl]-3-(methylthio)-1,2,4-triazine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]-3-methylsulfanyl-1,2,4-triazine-5-carboxylate Traditional Name: 6-[(3S)-4-tert-butoxy-3-(tert-butoxycarbonylamino)-4-keto-butyl]-3-(methylthio)-1,2,4-triazine-5-carboxylic acid tert-butyl ester Formula: C22H36N4O6S MolecularWeight: 484.60944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=NC(=N1)SC)CCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=NC(=N1)SC)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N4O6S/c1-20(2,3)30-16(27)14(23-19(29)32-22(7,8)9)12-11-13-15(17(28)31-21(4,5)6)24-18(33-10)26-25-13/h14H,11-12H2,1-10H3,(H,23,29)/t14-/m0/s1