1,3-benzodioxol-5-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid piperonyl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16O4S/c18-17(16-8-12-3-1-2-4-15(12)22-16)19-9-11-5-6-13-14(7-11)21-10-20-13/h5-8H,1-4,9-10H2