ethyl 5-cyano-2-methyl-6-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(2-isopropoxy-2-oxo-ethyl)sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(2-oxo-2-propan-2-yloxyethyl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-(2-oxo-2-propan-2-yloxyethyl)sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-isopropoxy-2-keto-ethyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-5-20-15(19)12-6-11(7-16)14(17-10(12)4)22-8-13(18)21-9(2)3/h6,9H,5,8H2,1-4H3