2-[bis(oxidanyl)methylidene]-6-methyl-4-pyrrolidin-3-yl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]heptane-3,7-dione

Systemtic Name: 2-[bis(oxidanyl)methylidene]-6-methyl-4-pyrrolidin-3-yl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]heptane-3,7-dione Openeye Name: 2-(dihydroxymethylene)-6-methyl-4-pyrrolidin-3-yl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]heptane-3,7-dione CAS Name: 2-(dihydroxymethylidene)-6-methyl-4-(3-pyrrolidinyl)-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]heptane-3,7-dione IUPAC Name: 2-(dihydroxymethylidene)-6-methyl-4-pyrrolidin-3-yl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]heptane-3,7-dione Traditional Name: 2-(dihydroxymethylene)-6-methyl-4-pyrrolidin-3-yl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]heptane-3,7-quinone Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(C(=O)C(=C(O)O)N2C1=O)C3CCNC3)SC4CCNC4

Isomeric SMILES

CC1(C2C(C(=O)C(=C(O)O)N2C1=O)C3CCNC3)SC4CCNC4

InChI

InChI=1S/C16H23N3O4S/c1-16(24-9-3-5-18-7-9)13-10(8-2-4-17-6-8)12(20)11(14(21)22)19(13)15(16)23/h8-10,13,17-18,21-22H,2-7H2,1H3