ethyl 5-bromanyl-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 5-bromo-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-bromo-3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 5-bromo-4-keto-3-(methylthio)-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C12H13BrO3S2 MolecularWeight: 349.26382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC(C(=O)C2=C(S1)SC)Br

Isomeric SMILES

CCOC(=O)C1=C2CCC(C(=O)C2=C(S1)SC)Br

InChI

InChI=1S/C12H13BrO3S2/c1-3-16-11(15)10-6-4-5-7(13)9(14)8(6)12(17-2)18-10/h7H,3-5H2,1-2H3