1-hydroxyethyl 7-oxidanylidene-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 1-hydroxyethyl 7-oxidanylidene-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 1-hydroxyethyl 7-oxo-3-(3-pyridyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(3-pyridinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-hydroxyethyl ester IUPAC Name: 1-hydroxyethyl 7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(3-pyridyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-hydroxyethyl ester Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC(=O)C1=C(SC2N1C(=O)C2)C3=CN=CC=C3

Isomeric SMILES

CC(O)OC(=O)C1=C(SC2N1C(=O)C2)C3=CN=CC=C3

InChI

InChI=1S/C13H12N2O4S/c1-7(16)19-13(18)11-12(8-3-2-4-14-6-8)20-10-5-9(17)15(10)11/h2-4,6-7,10,16H,5H2,1H3