6-(1-hydroxyethyl)-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylmethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylmethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethylthio]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[[2-[(4-nitrobenzyl)oxycarbonylamino]ethylthio]methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C19H20N3O8S2- MolecularWeight: 482.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CSCCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CSCCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-])O

InChI

InChI=1S/C19H21N3O8S2/c1-10(23)14-16(24)21-15(18(25)26)13(32-17(14)21)9-31-7-6-20-19(27)30-8-11-2-4-12(5-3-11)22(28)29/h2-5,10,14,17,23H,6-9H2,1H3,(H,20,27)(H,25,26)/p-1