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

Systemtic Name: 1,3-benzodioxol-5-yl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C16H14O4S MolecularWeight: 302.34496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H14O4S/c17-16(15-7-10-3-1-2-4-14(10)21-15)20-11-5-6-12-13(8-11)19-9-18-12/h5-8H,1-4,9H2