ethyl 6-[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(diisobutylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(diisobutylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(CC(C)C)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N(CC(C)C)CC(C)C)C

InChI

InChI=1S/C20H29N3O3S/c1-7-26-20(25)17-8-16(9-21)19(22-15(17)6)27-12-18(24)23(10-13(2)3)11-14(4)5/h8,13-14H,7,10-12H2,1-6H3