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

Systemtic Name: (4-ethanoylphenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3S/c1-12(19)13-7-9-15(10-8-13)21-18(20)17-11-14-5-3-2-4-6-16(14)22-17/h7-11H,2-6H2,1H3