methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxazole-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=COC(=N1)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=COC(=N1)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H25N3O4S/c1-26-20(25)16(8-10-28-2)22-19(24)17-13-27-18(21-17)12-23-9-7-14-5-3-4-6-15(14)11-23/h3-6,13,16H,7-12H2,1-2H3,(H,22,24)