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

Systemtic Name: methyl 6-methylsulfanyl-8-naphthalen-2-yl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-benzyl-6-methylsulfanyl-8-(2-naphthyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 6-(methylthio)-8-(2-naphthalenyl)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-6-methylsulfanyl-8-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-benzyl-6-(methylthio)-8-(2-naphthyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C29H27NO2S MolecularWeight: 453.59518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCN(C2)CC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCN(C2)CC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)SC

InChI

InChI=1S/C29H27NO2S/c1-32-29(31)28-24-14-15-30(18-20-8-4-3-5-9-20)19-26(24)25(17-27(28)33-2)23-13-12-21-10-6-7-11-22(21)16-23/h3-13,16-17H,14-15,18-19H2,1-2H3