(4-nitrophenyl)methyl (6S)-7-azanyl-3-morpholin-4-yl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6S)-7-azanyl-3-morpholin-4-yl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6S)-7-amino-3-morpholino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-amino-3-(4-morpholinyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6S)-7-amino-3-morpholin-4-yl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-amino-8-keto-3-morpholino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(N3C(C(C3=O)N)SC2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(N3[C@H](C(C3=O)N)SC2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c19-14-16(23)21-15(13(10-29-17(14)21)20-5-7-27-8-6-20)18(24)28-9-11-1-3-12(4-2-11)22(25)26/h1-4,14,17H,5-10,19H2/t14?,17-/m0/s1