3-[[(1R,2R,3E,6S)-6-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-1-oxidanyl-7,9-bis(oxidanylidene)-5-oxa-8,10-diazabicyclo[4.2.2]dec-3-en-2-yl]methylsulfanyl]benzaldehyde

Systemtic Name: 3-[[(1R,2R,3E,6S)-6-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-1-oxidanyl-7,9-bis(oxidanylidene)-5-oxa-8,10-diazabicyclo[4.2.2]dec-3-en-2-yl]methylsulfanyl]benzaldehyde Openeye Name: 3-[[(1R,2R,3E,6S)-1-hydroxy-7,9-dioxo-6-[(1S,2S)-1,2,3-trihydroxy-2-methyl-propyl]-5-oxa-8,10-diazabicyclo[4.2.2]dec-3-en-2-yl]methylsulfanyl]benzaldehyde CAS Name: 3-[[(1R,2R,3E,6S)-1-hydroxy-7,9-dioxo-6-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-5-oxa-8,10-diazabicyclo[4.2.2]dec-3-en-2-yl]methylthio]benzaldehyde IUPAC Name: 3-[[(1R,2R,3E,6S)-1-hydroxy-7,9-dioxo-6-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-5-oxa-8,10-diazabicyclo[4.2.2]dec-3-en-2-yl]methylsulfanyl]benzaldehyde Traditional Name: 3-[[(1R,2R,3E,6S)-1-hydroxy-7,9-diketo-6-[(1S,2S)-1,2,3-trihydroxy-2-methyl-propyl]-5-oxa-8,10-diazabicyclo[4.2.2]dec-3-en-2-yl]methylthio]benzaldehyde Formula: C19H22N2O8S MolecularWeight: 438.45158

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(C12C(=O)NC(C(C=CO1)CSC3=CC=CC(=C3)C=O)(C(=O)N2)O)O)O

Isomeric SMILES

C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](/C=C/O1)CSC3=CC=CC(=C3)C=O)(C(=O)N2)O)O)O

InChI

InChI=1S/C19H22N2O8S/c1-17(27,10-23)14(24)19-16(26)20-18(28,15(25)21-19)12(5-6-29-19)9-30-13-4-2-3-11(7-13)8-22/h2-8,12,14,23-24,27-28H,9-10H2,1H3,(H,20,26)(H,21,25)/b6-5+/t12-,14-,17-,18+,19-/m0/s1