prop-2-enyl 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: prop-2-enyl 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: allyl 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-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 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-carboxylic acid allyl ester Formula: C22H25N3O8S2 MolecularWeight: 523.5792

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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)OCC=C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O8S2/c1-3-9-32-21(28)18-16(35-20-17(13(2)26)19(27)24(18)20)12-34-10-8-23-22(29)33-11-14-4-6-15(7-5-14)25(30)31/h3-7,13,17,20,26H,1,8-12H2,2H3,(H,23,29)