[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl 7-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl 7-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (2,5-dioxopyrrolidin-1-yl)methyl 7-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 7-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (2,5-dioxo-1-pyrrolidinyl)methyl ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl)methyl 7-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-hydroxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid succinimidomethyl ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OCN3C(=O)CCC3=O)N4C(=O)C5CCCCC5C4=O)O

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OCN3C(=O)CCC3=O)N4C(=O)C5CCCCC5C4=O)O

InChI

InChI=1S/C21H25N3O8S/c1-21(31)8-33-19-14(23-16(27)10-4-2-3-5-11(10)17(23)28)18(29)24(19)15(21)20(30)32-9-22-12(25)6-7-13(22)26/h10-11,14-15,19,31H,2-9H2,1H3