3-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-amino-1,1-dimethyl-ethyl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(1-amino-2-methylpropan-2-yl)thio]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-2-methylpropan-2-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(2-amino-1,1-dimethyl-ethyl)thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SC(C)(C)CN)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SC(C)(C)CN)C(=O)O)O

InChI

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