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

Systemtic Name: ethyl 5-bromanyl-4-oxidanylidene-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-5-bromo-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-bromo-4-oxo-3-(phenylmethylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-5-bromo-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 3-(benzylthio)-5-bromo-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C18H17BrO3S2 MolecularWeight: 425.35978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC(C(=O)C2=C(S1)SCC3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C2CCC(C(=O)C2=C(S1)SCC3=CC=CC=C3)Br

InChI

InChI=1S/C18H17BrO3S2/c1-2-22-17(21)16-12-8-9-13(19)15(20)14(12)18(24-16)23-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3