methyl 3a,4-dibutyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophene-6-carboxylate

Systemtic Name: methyl 3a,4-dibutyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophene-6-carboxylate Openeye Name: methyl 3a,4-dibutyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophene-6-carboxylate CAS Name: 3a,4-dibutyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 3a,4-dibutyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophene-6-carboxylate Traditional Name: 3a,4-dibutyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophene-6-carboxylic acid methyl ester Formula: C17H28O2S MolecularWeight: 296.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(C2C1(CSC2)CCCC)C(=O)OC

Isomeric SMILES

CCCCC1=CC(C2C1(CSC2)CCCC)C(=O)OC

InChI

InChI=1S/C17H28O2S/c1-4-6-8-13-10-14(16(18)19-3)15-11-20-12-17(13,15)9-7-5-2/h10,14-15H,4-9,11-12H2,1-3H3