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

Systemtic Name: 3-(2-azanylethylsulfanyl)-6-(hydroxymethyl)-6-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethylsulfanyl)-6-(hydroxymethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-aminoethylthio)-6-(hydroxymethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanyl)-6-(hydroxymethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminoethylthio)-7-keto-6-methyl-6-methylol-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(=C(N2C1=O)C(=O)O)SCCN)CO

Isomeric SMILES

CC1(C2CC(=C(N2C1=O)C(=O)O)SCCN)CO

InChI

InChI=1S/C11H16N2O4S/c1-11(5-14)7-4-6(18-3-2-12)8(9(15)16)13(7)10(11)17/h7,14H,2-5,12H2,1H3,(H,15,16)