12-methyl-3,7-bis(oxidanyl)-5-thia-1,9-diazabicyclo[7.3.1]tridec-11-ene-10,13-dione

Systemtic Name: 12-methyl-3,7-bis(oxidanyl)-5-thia-1,9-diazabicyclo[7.3.1]tridec-11-ene-10,13-dione Openeye Name: 3,7-dihydroxy-12-methyl-5-thia-1,9-diazabicyclo[7.3.1]tridec-11-ene-10,13-dione CAS Name: 3,7-dihydroxy-12-methyl-5-thia-1,9-diazabicyclo[7.3.1]tridec-11-ene-10,13-dione IUPAC Name: 3,7-dihydroxy-12-methyl-5-thia-1,9-diazabicyclo[7.3.1]tridec-11-ene-10,13-dione Traditional Name: 3,7-dihydroxy-12-methyl-5-thia-1,9-diazabicyclo[7.3.1]tridec-11-ene-10,13-quinone Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2CC(CSCC(CN1C2=O)O)O

Isomeric SMILES

CC1=CC(=O)N2CC(CSCC(CN1C2=O)O)O

InChI

InChI=1S/C11H16N2O4S/c1-7-2-10(16)13-4-9(15)6-18-5-8(14)3-12(7)11(13)17/h2,8-9,14-15H,3-6H2,1H3