sulfanyl 3-(6-ethyl-1-methyl-2H-pyridin-5-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sulfanyl 3-(6-ethyl-1-methyl-2H-pyridin-5-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sulfanyl 3-(6-ethyl-1-methyl-2H-pyridin-5-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(6-ethyl-1-methyl-2H-pyridin-5-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid mercapto ester IUPAC Name: sulfanyl 3-(6-ethyl-1-methyl-2H-pyridin-5-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(6-ethyl-1-methyl-2H-pyridin-5-yl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid mercapto ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CCN1C)C2=C(N3C(C2)C(C3=O)C(C)O)C(=O)OS

Isomeric SMILES

CCC1=C(C=CCN1C)C2=C(N3C(C2)C(C3=O)C(C)O)C(=O)OS

InChI

InChI=1S/C17H22N2O4S/c1-4-12-10(6-5-7-18(12)3)11-8-13-14(9(2)20)16(21)19(13)15(11)17(22)23-24/h5-6,9,13-14,20,24H,4,7-8H2,1-3H3