1,3-benzodioxol-5-yl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16O4S/c18-17(16-8-11-4-2-1-3-5-15(11)22-16)21-12-6-7-13-14(9-12)20-10-19-13/h6-9H,1-5,10H2