6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-pyrrolidin-1-ylcarbothioylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-pyrrolidin-1-ylcarbothioylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(pyrrolidine-1-carbothioylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(pyrrolidine-1-carbothioylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-(pyrrolidine-1-carbothioylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H20N2O4S2 MolecularWeight: 356.4603

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC(=S)N3CCCC3)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC(=S)N3CCCC3)C(=O)O)C(C)O

InChI

InChI=1S/C15H20N2O4S2/c1-7-10-9(8(2)18)13(19)17(10)11(14(20)21)12(7)23-15(22)16-5-3-4-6-16/h7-10,18H,3-6H2,1-2H3,(H,20,21)