3-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-6-(hydroxymethyl)-6-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-6-(hydroxymethyl)-6-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-amino-1,1-dimethyl-ethyl)sulfanyl-6-(hydroxymethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(1-amino-2-methylpropan-2-yl)thio]-6-(hydroxymethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-2-methylpropan-2-yl)sulfanyl-6-(hydroxymethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(2-amino-1,1-dimethyl-ethyl)thio]-7-keto-6-methyl-6-methylol-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(=C(N2C1=O)C(=O)O)SC(C)(C)CN)CO

Isomeric SMILES

CC1(C2CC(=C(N2C1=O)C(=O)O)SC(C)(C)CN)CO

InChI

InChI=1S/C13H20N2O4S/c1-12(2,5-14)20-7-4-8-13(3,6-16)11(19)15(8)9(7)10(17)18/h8,16H,4-6,14H2,1-3H3,(H,17,18)