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

Systemtic Name: ethyl 5-bromanyl-3-butylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 5-bromo-3-butylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-bromo-3-(butylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-butylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 5-bromo-3-(butylthio)-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C15H19BrO3S2 MolecularWeight: 391.34356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C2C(=C(S1)C(=O)OCC)CCC(C2=O)Br

Isomeric SMILES

CCCCSC1=C2C(=C(S1)C(=O)OCC)CCC(C2=O)Br

InChI

InChI=1S/C15H19BrO3S2/c1-3-5-8-20-15-11-9(6-7-10(16)12(11)17)13(21-15)14(18)19-4-2/h10H,3-8H2,1-2H3