3-(3-azanylpyridin-4-yl)sulfanyl-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(3-azanylpyridin-4-yl)sulfanyl-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[(3-amino-4-pyridyl)sulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(3-amino-4-pyridinyl)thio]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-aminopyridin-4-yl)sulfanyl-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(3-amino-4-pyridyl)thio]-6-(1-hydroxy-1-methyl-ethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C2CC(=C(N2C1=O)C(=O)O)SC3=C(C=NC=C3)N)O

Isomeric SMILES

CC(C)(C1C2CC(=C(N2C1=O)C(=O)O)SC3=C(C=NC=C3)N)O

InChI

InChI=1S/C15H17N3O4S/c1-15(2,22)11-8-5-10(12(14(20)21)18(8)13(11)19)23-9-3-4-17-6-7(9)16/h3-4,6,8,11,22H,5,16H2,1-2H3,(H,20,21)