3-(2-benzamidoethylsulfanyl)-7-oxidanylidene-6-(1-oxidanylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(2-benzamidoethylsulfanyl)-7-oxidanylidene-6-(1-oxidanylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(2-benzamidoethylsulfanyl)-6-(1-hydroxypropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(2-benzamidoethylthio)-6-(1-hydroxypropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(2-benzamidoethylsulfanyl)-6-(1-hydroxypropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(2-benzamidoethylthio)-6-(1-hydroxypropyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C18H19N2O5S2- MolecularWeight: 407.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2N(C1=O)C(=C(S2)SCCNC(=O)C3=CC=CC=C3)C(=O)[O-])O

Isomeric SMILES

CCC(C1C2N(C1=O)C(=C(S2)SCCNC(=O)C3=CC=CC=C3)C(=O)[O-])O

InChI

InChI=1S/C18H20N2O5S2/c1-2-11(21)12-15(23)20-13(17(24)25)18(27-16(12)20)26-9-8-19-14(22)10-6-4-3-5-7-10/h3-7,11-12,16,21H,2,8-9H2,1H3,(H,19,22)(H,24,25)/p-1