3-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-6-(1-hydroxyethyl)-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-(1-hydroxyethyl)-7-oxidanylidene-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-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-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-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-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:

CC(C1C2CC(=C(N2C1=O)C(=O)O)SC(C)(C)CN)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)SC(C)(C)CN)O

InChI

InChI=1S/C13H20N2O4S/c1-6(16)9-7-4-8(20-13(2,3)5-14)10(12(18)19)15(7)11(9)17/h6-7,9,16H,4-5,14H2,1-3H3,(H,18,19)