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

Systemtic Name: 3-[2,6-bis(chloranyl)pyridin-4-yl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2,6-dichloro-4-pyridyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2,6-dichloro-4-pyridinyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2,6-dichloropyridin-4-yl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2,6-dichloro-4-pyridyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H10Cl2N2O4S MolecularWeight: 361.2005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C3=CC(=NC(=C3)Cl)Cl)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C3=CC(=NC(=C3)Cl)Cl)C(=O)O)O

InChI

InChI=1S/C13H10Cl2N2O4S/c1-4(18)8-11(19)17-9(13(20)21)10(22-12(8)17)5-2-6(14)16-7(15)3-5/h2-4,8,12,18H,1H3,(H,20,21)