(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)C#N

InChI

InChI=1S/C19H15ClN2O4S/c1-27-18-13(7-21)12(6-15(22-18)11-2-3-11)19(23)24-8-10-4-14(20)17-16(5-10)25-9-26-17/h4-6,11H,2-3,8-9H2,1H3