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

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-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] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CC1=C(SC=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C20H21NO5S/c1-13-7-10-27-18(13)19(23)24-12-17(22)21-14-5-6-15-16(11-14)26-20(25-15)8-3-2-4-9-20/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,21,22)