2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3COC4=CC=CC=C4O3)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3COC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C20H18N2O4S/c1-27-19-15(9-21)14(8-16(22-19)12-6-7-12)20(23)25-11-13-10-24-17-4-2-3-5-18(17)26-13/h2-5,8,12-13H,6-7,10-11H2,1H3