3-(2-azanylethylsulfanyl)-7-(1-hydroxyethyl)-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-azanylethylsulfanyl)-7-(1-hydroxyethyl)-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethylsulfanyl)-7-(1-hydroxyethyl)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(2-aminoethylthio)-7-(1-hydroxyethyl)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanyl)-7-(1-hydroxyethyl)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminoethylthio)-7-(1-hydroxyethyl)-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CCC(=C(N2C1=O)C(=O)O)SCCN)O

Isomeric SMILES

CC(C1C2CCC(=C(N2C1=O)C(=O)O)SCCN)O

InChI

InChI=1S/C12H18N2O4S/c1-6(15)9-7-2-3-8(19-5-4-13)10(12(17)18)14(7)11(9)16/h6-7,9,15H,2-5,13H2,1H3,(H,17,18)