3-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-6-(hydroxymethyl)-5-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)-5-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)-5-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)-5-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)-5-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-5-methyl-6-methylol-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=C(N1C(=O)C2CO)C(=O)O)SC(C)(C)CN

Isomeric SMILES

CC12CC(=C(N1C(=O)C2CO)C(=O)O)SC(C)(C)CN

InChI

InChI=1S/C13H20N2O4S/c1-12(2,6-14)20-8-4-13(3)7(5-16)10(17)15(13)9(8)11(18)19/h7,16H,4-6,14H2,1-3H3,(H,18,19)