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

Systemtic Name: sulfanyl 3-(4-butylpyridin-3-yl)-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sulfanyl 3-(4-butyl-3-pyridyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(4-butyl-3-pyridinyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid mercapto ester IUPAC Name: sulfanyl 3-(4-butylpyridin-3-yl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(4-butyl-3-pyridyl)-6-ethyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid mercapto ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-3-5-6-11-7-8-19-10-14(11)13-9-15-12(4-2)17(21)20(15)16(13)18(22)23-24/h7-8,10,12,15,24H,3-6,9H2,1-2H3