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

Systemtic Name: 3-(1-azanylbutan-2-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[1-(aminomethyl)propylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(1-aminobutan-2-ylthio)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-aminobutan-2-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[1-(aminomethyl)propylthio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN)SC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O

Isomeric SMILES

CCC(CN)SC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O

InChI

InChI=1S/C12H18N2O4S2/c1-3-6(4-13)19-12-8(11(17)18)14-9(16)7(5(2)15)10(14)20-12/h5-7,10,15H,3-4,13H2,1-2H3,(H,17,18)