ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(piperonyloylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO5S/c1-2-24-20(23)17-13-6-4-3-5-7-16(13)27-19(17)21-18(22)12-8-9-14-15(10-12)26-11-25-14/h8-10H,2-7,11H2,1H3,(H,21,22)