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

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-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'-cyclopentane]ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-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'-cyclopentane]-5-ylamino)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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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)CCCC4)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4)C

InChI

InChI=1S/C21H23NO5S/c1-3-17-13(2)10-18(28-17)20(24)25-12-19(23)22-14-6-7-15-16(11-14)27-21(26-15)8-4-5-9-21/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,22,23)