ethyl 6-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-(1-allophanoyl-2-methyl-propyl)sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(1-allophanoyl-2-methyl-propyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C16H20N4O4S/c1-5-24-15(22)11-6-10(7-17)14(19-9(11)4)25-12(8(2)3)13(21)20-16(18)23/h6,8,12H,5H2,1-4H3,(H3,18,20,21,23)