(2S)-2-azanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-butan-1-one

Systemtic Name: (2S)-2-azanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-butan-1-one Openeye Name: (2S)-2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-butan-1-one CAS Name: (2S)-2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-butanone IUPAC Name: (2S)-2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanylbutan-1-one Traditional Name: (2S)-2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)butan-1-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCSC)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H](CCSC)N)OC

InChI

InChI=1S/C16H24N2O3S/c1-20-14-8-11-4-6-18(10-12(11)9-15(14)21-2)16(19)13(17)5-7-22-3/h8-9,13H,4-7,10,17H2,1-3H3/t13-/m0/s1