[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C21H22N2O5S/c1-29-19-15(6-5-11-22-19)20(25)26-13-18(24)23-14-7-8-16-17(12-14)28-21(27-16)9-3-2-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,24)