ethyl 5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 6-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[(2-tert-butoxy-2-keto-ethyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-6-21-15(20)12-7-11(8-17)14(18-10(12)2)23-9-13(19)22-16(3,4)5/h7H,6,9H2,1-5H3