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

Systemtic Name: ethyl 5-bromanyl-4-oxidanylidene-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 5-bromo-3-isopropylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-bromo-4-oxo-3-(propan-2-ylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-4-oxo-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 5-bromo-3-(isopropylthio)-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C14H17BrO3S2 MolecularWeight: 377.31698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO3S2/c1-4-18-13(17)12-8-5-6-9(15)11(16)10(8)14(20-12)19-7(2)3/h7,9H,4-6H2,1-3H3