2-azanyl-4-methylsulfanyl-butanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 3-(3,4-dimethoxyphenyl)-3-(1-oxoisoindolin-2-yl)propanamide CAS Name: 2-amino-4-(methylthio)butanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 2-amino-4-(methylthio)butyric acid; 3-(3,4-dimethoxyphenyl)-3-(1-ketoisoindolin-2-yl)propionamide Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC.CSCCC(C(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC.CSCCC(C(=O)O)N

InChI

InChI=1S/C19H20N2O4.C5H11NO2S/c1-24-16-8-7-12(9-17(16)25-2)15(10-18(20)22)21-11-13-5-3-4-6-14(13)19(21)23;1-9-3-2-4(6)5(7)8/h3-9,15H,10-11H2,1-2H3,(H2,20,22);4H,2-3,6H2,1H3,(H,7,8)