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

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

CCCNCC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O

Isomeric SMILES

CCCNCC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O

InChI

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