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

Systemtic Name: (4-methoxycarbonylphenyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 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-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 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-carbomethoxyphenyl) ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O4S/c1-21-17(19)12-7-9-14(10-8-12)22-18(20)16-11-13-5-3-2-4-6-15(13)23-16/h7-11H,2-6H2,1H3