dimethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-quinolin-8-ylsulfanyl-pentanedioate

Systemtic Name: dimethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-quinolin-8-ylsulfanyl-pentanedioate Openeye Name: dimethyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-(8-quinolylsulfanyl)pentanedioate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(8-quinolinylthio)pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-quinolin-8-ylsulfanylpentanedioate Traditional Name: (2S)-2-phthalimido-4-(8-quinolylthio)glutaric acid dimethyl ester Formula: C24H20N2O6S MolecularWeight: 464.4904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C(=O)OC)SC1=CC=CC2=C1N=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)[C@H](CC(C(=O)OC)SC1=CC=CC2=C1N=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H20N2O6S/c1-31-23(29)17(26-21(27)15-9-3-4-10-16(15)22(26)28)13-19(24(30)32-2)33-18-11-5-7-14-8-6-12-25-20(14)18/h3-12,17,19H,13H2,1-2H3/t17-,19?/m0/s1