6-(1-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-3-[3-(2-pyridyl)propyl]-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[3-(2-pyridinyl)propyl]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-3-[3-(2-pyridyl)propyl]-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H17N2O3S2- MolecularWeight: 349.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=S)C(=C(S2)CCCC3=CC=CC=N3)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=S)C(=C(S2)CCCC3=CC=CC=N3)C(=O)[O-])O

InChI

InChI=1S/C16H18N2O3S2/c1-9(19)12-14(22)18-13(16(20)21)11(23-15(12)18)7-4-6-10-5-2-3-8-17-10/h2-3,5,8-9,12,15,19H,4,6-7H2,1H3,(H,20,21)/p-1