[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C22H20N4O6S/c1-33-20-15(10-23)14(9-16(25-20)12-2-3-12)21(28)32-11-19(27)26-22(29)24-13-4-5-17-18(8-13)31-7-6-30-17/h4-5,8-9,12H,2-3,6-7,11H2,1H3,(H2,24,26,27,29)