(5S)-6-(1-hydroxyethyl)-7-oxidanylidene-3-pyrrolidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5S)-6-(1-hydroxyethyl)-7-oxidanylidene-3-pyrrolidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5S)-6-(1-hydroxyethyl)-7-oxo-3-pyrrolidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5S)-6-(1-hydroxyethyl)-7-oxo-3-(3-pyrrolidinylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5S)-6-(1-hydroxyethyl)-7-oxo-3-pyrrolidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5S)-6-(1-hydroxyethyl)-7-keto-3-(pyrrolidin-3-ylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3CCNC3)C(=O)O)O

Isomeric SMILES

CC(C1[C@H]2N(C1=O)C(=C(S2)SC3CCNC3)C(=O)O)O

InChI

InChI=1S/C12H16N2O4S2/c1-5(15)7-9(16)14-8(11(17)18)12(20-10(7)14)19-6-2-3-13-4-6/h5-7,10,13,15H,2-4H2,1H3,(H,17,18)/t5?,6?,7?,10-/m0/s1