methyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-4-oxidanylidene-azetidin-2-yl]-3-methyl-4-sulfanyl-butanoate

Systemtic Name: methyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-4-oxidanylidene-azetidin-2-yl]-3-methyl-4-sulfanyl-butanoate Openeye Name: methyl 2-[2-chloro-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-2-yl]-3-methyl-4-sulfanyl-butanoate CAS Name: 2-[2-chloro-3-(1,3-dioxo-2-isoindolyl)-4-oxo-2-azetidinyl]-4-mercapto-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2-chloro-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-2-yl]-3-methyl-4-sulfanylbutanoate Traditional Name: 2-(2-chloro-4-keto-3-phthalimido-azetidin-2-yl)-4-mercapto-3-methyl-butyric acid methyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(C(=O)OC)C1(C(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC(CS)C(C(=O)OC)C1(C(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C17H17ClN2O5S/c1-8(7-26)11(16(24)25-2)17(18)12(13(21)19-17)20-14(22)9-5-3-4-6-10(9)15(20)23/h3-6,8,11-12,26H,7H2,1-2H3,(H,19,21)