methyl 2-(2-oxidanylideneethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 2-(2-oxidanylideneethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 2-(2-oxoethyl)-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: 2-(2-oxoethyl)-6,7-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-oxoethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 2-(2-ketoethyl)-6,7-dihydrobenzothiophene-5-carboxylic acid methyl ester Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC1)SC(=C2)CC=O

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)SC(=C2)CC=O

InChI

InChI=1S/C12H12O3S/c1-15-12(14)8-2-3-11-9(6-8)7-10(16-11)4-5-13/h5-7H,2-4H2,1H3