(3-methylquinoxalin-2-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (3-methylquinoxalin-2-yl)methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N3O4S/c1-14-19(25-18-10-6-5-9-17(18)24-14)13-30-23(29)20(11-12-31-2)26-21(27)15-7-3-4-8-16(15)22(26)28/h3-10,20H,11-13H2,1-2H3