6-(1-acetyloxyethyl)-3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-acetyloxyethyl)-3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-acetoxyethyl)-3-(2-amino-2-oxo-ethyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-acetyloxyethyl)-3-[(2-amino-2-oxoethyl)thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-acetyloxyethyl)-3-(2-amino-2-oxoethyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-acetoxyethyl)-3-[(2-amino-2-keto-ethyl)thio]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H14N2O6S2 MolecularWeight: 346.37936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCC(=O)N)C(=O)O)OC(=O)C

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCC(=O)N)C(=O)O)OC(=O)C

InChI

InChI=1S/C12H14N2O6S2/c1-4(20-5(2)15)7-9(17)14-8(11(18)19)12(22-10(7)14)21-3-6(13)16/h4,7,10H,3H2,1-2H3,(H2,13,16)(H,18,19)