3-(3-acetamidopropyl)-6-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(3-acetamidopropyl)-6-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-acetamidopropyl)-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(3-acetamidopropyl)-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-acetamidopropyl)-6-(hydroxymethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(3-acetamidopropyl)-7-keto-6-methylol-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=C(N2C(S1)C(C2=O)CO)C(=O)O

Isomeric SMILES

CC(=O)NCCCC1=C(N2C(S1)C(C2=O)CO)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-6(16)13-4-2-3-8-9(12(18)19)14-10(17)7(5-15)11(14)20-8/h7,11,15H,2-5H2,1H3,(H,13,16)(H,18,19)