ethyl 6-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-cyano-2-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)SCC2=CC3=C(C=C2Cl)OCO3)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)SCC2=CC3=C(C=C2Cl)OCO3)C#N

InChI

InChI=1S/C17H13ClN2O5S/c1-2-23-17(22)11-3-9(6-19)16(20-15(11)21)26-7-10-4-13-14(5-12(10)18)25-8-24-13/h3-5H,2,7-8H2,1H3,(H,20,21)