3-(2-azanylethylsulfanyl)-6-(1-hydroxyethyl)-5-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-azanylethylsulfanyl)-6-(1-hydroxyethyl)-5-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethylsulfanyl)-6-(1-hydroxyethyl)-5-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-aminoethylthio)-6-(1-hydroxyethyl)-5-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanyl)-6-(1-hydroxyethyl)-5-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminoethylthio)-6-(1-hydroxyethyl)-7-keto-5-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)N2C1(CC(=C2C(=O)O)SCCN)C)O

Isomeric SMILES

CC(C1C(=O)N2C1(CC(=C2C(=O)O)SCCN)C)O

InChI

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