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

Systemtic Name: (4-nitrophenyl)methyl 3-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(3-amino-3-oxo-propyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(3-amino-3-oxopropyl)thio]-7-oxo-4-thia-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-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(3-amino-3-keto-propyl)thio]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H15N3O6S2 MolecularWeight: 409.4368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6S2/c17-11(20)5-6-26-16-14(18-12(21)7-13(18)27-16)15(22)25-8-9-1-3-10(4-2-9)19(23)24/h1-4,13H,5-8H2,(H2,17,20)