ethyl 5-cyano-6-[1-[(2,4-dimethylphenyl)carbamoylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[1-[(2,4-dimethylphenyl)carbamoylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(2,4-dimethylphenyl)carbamoylamino]-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[1-[[(2,4-dimethylanilino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[1-[(2,4-dimethylphenyl)carbamoylamino]-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC(=O)NC2=C(C=C(C=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC(=O)NC2=C(C=C(C=C2)C)C)C

InChI

InChI=1S/C22H24N4O4S/c1-6-30-21(28)17-10-16(11-23)20(24-14(17)4)31-15(5)19(27)26-22(29)25-18-8-7-12(2)9-13(18)3/h7-10,15H,6H2,1-5H3,(H2,25,26,27,29)