[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-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] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H17N3O6S/c1-28-16-12(3-2-6-19-16)17(23)27-10-15(22)21-18(24)20-11-4-5-13-14(9-11)26-8-7-25-13/h2-6,9H,7-8,10H2,1H3,(H2,20,21,22,24)