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

Systemtic Name: 6-(1-hydroxyethyl)-3-(2-methylsulfanylpyridin-3-yl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-3-(2-methylsulfanyl-3-pyridyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-[2-(methylthio)-3-pyridinyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-3-(2-methylsulfanylpyridin-3-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[2-(methylthio)-3-pyridyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C3=C(N=CC=C3)SC)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C3=C(N=CC=C3)SC)C(=O)O)O

InChI

InChI=1S/C14H14N2O4S2/c1-6(17)8-12(18)16-9(14(19)20)10(22-13(8)16)7-4-3-5-15-11(7)21-2/h3-6,8,13,17H,1-2H3,(H,19,20)