sulfanyl 3-(4-butylpyridin-3-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sulfanyl 3-(4-butylpyridin-3-yl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sulfanyl 3-(4-butyl-3-pyridyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(4-butyl-3-pyridinyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid mercapto ester IUPAC Name: sulfanyl 3-(4-butylpyridin-3-yl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(4-butyl-3-pyridyl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid mercapto ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=NC=C1)C2=C(N3C(C2)C(C3=O)C(C)O)C(=O)OS

Isomeric SMILES

CCCCC1=C(C=NC=C1)C2=C(N3C(C2)C(C3=O)C(C)O)C(=O)OS

InChI

InChI=1S/C18H22N2O4S/c1-3-4-5-11-6-7-19-9-13(11)12-8-14-15(10(2)21)17(22)20(14)16(12)18(23)24-25/h6-7,9-10,14-15,21,25H,3-5,8H2,1-2H3