methyl (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-23-15-9-12-5-7-20(11-13(12)10-16(15)24-2)18(22)19-14(6-8-26-4)17(21)25-3/h9-10,14H,5-8,11H2,1-4H3,(H,19,22)/t14-/m0/s1