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

Systemtic Name: 3-(1-azanyl-4-oxidanyl-butyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-amino-4-hydroxy-butyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(1-amino-4-hydroxybutyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-4-hydroxybutyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(1-amino-4-hydroxy-butyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C(CCCO)N)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C(CCCO)N)C(=O)O)O

InChI

InChI=1S/C12H18N2O5S/c1-5(16)7-10(17)14-8(12(18)19)9(20-11(7)14)6(13)3-2-4-15/h5-7,11,15-16H,2-4,13H2,1H3,(H,18,19)