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

Systemtic Name: 3-(2-aminocarbonyloxyethylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-carbamoyloxyethylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-carbamoyloxyethylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-carbamoyloxyethylsulfinylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-carbamoyloxyethylsulfinylmethyl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N2O7S MolecularWeight: 346.35622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)CS(=O)CCOC(=O)N)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)CS(=O)CCOC(=O)N)O

InChI

InChI=1S/C13H18N2O7S/c1-6(16)9-8-4-7(5-23(21)3-2-22-13(14)20)10(12(18)19)15(8)11(9)17/h6,8-9,16H,2-5H2,1H3,(H2,14,20)(H,18,19)