(2,6-dimethoxyphenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: (2,6-dimethoxyphenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: (2,6-dimethoxyphenyl) 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 (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 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 (2,6-dimethoxyphenyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC(=O)C2=CC3=C(S2)CCCCC3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC(=O)C2=CC3=C(S2)CCCCC3

InChI

InChI=1S/C18H20O4S/c1-20-13-8-6-9-14(21-2)17(13)22-18(19)16-11-12-7-4-3-5-10-15(12)23-16/h6,8-9,11H,3-5,7,10H2,1-2H3