acetyloxymethyl 3-methyl-7-[4-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: acetyloxymethyl 3-methyl-7-[4-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: acetoxymethyl 3-hydroxy-3-methyl-7-(4-methyl-1,3-dioxo-isoindolin-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-hydroxy-3-methyl-7-(4-methyl-1,3-dioxo-2-isoindolyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 3-hydroxy-3-methyl-7-(4-methyl-1,3-dioxoisoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-(1,3-diketo-4-methyl-isoindolin-2-yl)-3-hydroxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid acetoxymethyl ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(C2=O)C3C4N(C3=O)C(C(CS4)(C)O)C(=O)OCOC(=O)C

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(C2=O)C3C4N(C3=O)C(C(CS4)(C)O)C(=O)OCOC(=O)C

InChI

InChI=1S/C20H20N2O8S/c1-9-5-4-6-11-12(9)16(25)21(15(11)24)13-17(26)22-14(19(27)30-8-29-10(2)23)20(3,28)7-31-18(13)22/h4-6,13-14,18,28H,7-8H2,1-3H3