4-methylsulfanyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3-oxo-2-phenyl-isoindoline-4-carbonyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]butanoic acid Traditional Name: 2-[(3-keto-2-phenyl-isoindoline-4-carbonyl)amino]-4-(methylthio)butyric acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C2C(=CC=C1)CN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-27-11-10-16(20(25)26)21-18(23)15-9-5-6-13-12-22(19(24)17(13)15)14-7-3-2-4-8-14/h2-9,16H,10-12H2,1H3,(H,21,23)(H,25,26)