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

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-piperidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-piperidylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-piperidinylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-piperidin-3-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(3-piperidylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC3CCCNC3)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC3CCCNC3)C(=O)O)O

InChI

InChI=1S/C13H18N2O4S2/c1-6(16)8-10(17)15-9(12(18)19)13(21-11(8)15)20-7-3-2-4-14-5-7/h6-8,11,14,16H,2-5H2,1H3,(H,18,19)