methyl 7-(4-bromophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate

Systemtic Name: methyl 7-(4-bromophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate Openeye Name: methyl 7-(4-bromophenyl)-5-methylsulfanyl-2,3-dihydrobenzothiophene-4-carboxylate CAS Name: 7-(4-bromophenyl)-5-(methylthio)-2,3-dihydro-1-benzothiophene-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-bromophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate Traditional Name: 7-(4-bromophenyl)-5-(methylthio)-2,3-dihydrobenzothiophene-4-carboxylic acid methyl ester Formula: C17H15BrO2S2 MolecularWeight: 395.3338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCS2)C3=CC=C(C=C3)Br)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCS2)C3=CC=C(C=C3)Br)SC

InChI

InChI=1S/C17H15BrO2S2/c1-20-17(19)15-12-7-8-22-16(12)13(9-14(15)21-2)10-3-5-11(18)6-4-10/h3-6,9H,7-8H2,1-2H3