methyl 2,5-dimethyl-4-oxidanylidene-7,8-dihydro-6H-cyclohepta[b]thiophene-5-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-oxidanylidene-7,8-dihydro-6H-cyclohepta[b]thiophene-5-carboxylate Openeye Name: methyl 2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclohepta[b]thiophene-5-carboxylate CAS Name: 2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclohepta[b]thiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclohepta[b]thiophene-5-carboxylate Traditional Name: 4-keto-2,5-dimethyl-7,8-dihydro-6H-cyclohepta[b]thiophene-5-carboxylic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCCC(C2=O)(C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(S1)CCCC(C2=O)(C)C(=O)OC

InChI

InChI=1S/C13H16O3S/c1-8-7-9-10(17-8)5-4-6-13(2,11(9)14)12(15)16-3/h7H,4-6H2,1-3H3