(4-nitrophenyl)methyl 3-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(3-amino-3-oxo-propyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(3-amino-3-oxopropyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(3-amino-3-oxopropyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(3-amino-3-keto-propyl)thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SCCC(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2CC(=O)N2C(=C1SCCC(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c18-14(21)5-6-27-13-7-12-8-15(22)19(12)16(13)17(23)26-9-10-1-3-11(4-2-10)20(24)25/h1-4,12H,5-9H2,(H2,18,21)