[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic 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] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C

InChI

InChI=1S/C22H25NO5S/c1-3-18-14(2)11-19(29-18)21(25)26-13-20(24)23-15-7-8-16-17(12-15)28-22(27-16)9-5-4-6-10-22/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,23,24)