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

Systemtic Name: 3-(3-acetamidopropyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-acetamidopropyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(3-acetamidopropyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-acetamidopropyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(3-acetamidopropyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-6(16)9-11(18)15-10(13(19)20)8(21-12(9)15)4-3-5-14-7(2)17/h6,9,12,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)