methyl 8-(4-bromophenyl)-6-methylsulfanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 8-(4-bromophenyl)-6-methylsulfanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-benzyl-8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 8-(4-bromophenyl)-6-(methylthio)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-8-(4-bromophenyl)-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-benzyl-8-(4-bromophenyl)-6-(methylthio)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C25H24BrNO2S MolecularWeight: 482.43256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCN(C2)CC3=CC=CC=C3)C4=CC=C(C=C4)Br)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCN(C2)CC3=CC=CC=C3)C4=CC=C(C=C4)Br)SC

InChI

InChI=1S/C25H24BrNO2S/c1-29-25(28)24-20-12-13-27(15-17-6-4-3-5-7-17)16-22(20)21(14-23(24)30-2)18-8-10-19(26)11-9-18/h3-11,14H,12-13,15-16H2,1-2H3