methyl 8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromene-5-carboxylate

Systemtic Name: methyl 8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromene-5-carboxylate Openeye Name: methyl 8-(4-bromophenyl)-6-methylsulfanyl-isothiochromane-5-carboxylate CAS Name: 8-(4-bromophenyl)-6-(methylthio)-3,4-dihydro-1H-2-benzothiopyran-5-carboxylic acid methyl ester IUPAC Name: methyl 8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isothiochromene-5-carboxylate Traditional Name: 8-(4-bromophenyl)-6-(methylthio)isothiochroman-5-carboxylic acid methyl ester Formula: C18H17BrO2S2 MolecularWeight: 409.36038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCSC2)C3=CC=C(C=C3)Br)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCSC2)C3=CC=C(C=C3)Br)SC

InChI

InChI=1S/C18H17BrO2S2/c1-21-18(20)17-13-7-8-23-10-15(13)14(9-16(17)22-2)11-3-5-12(19)6-4-11/h3-6,9H,7-8,10H2,1-2H3