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

Systemtic Name: (4-nitrophenyl)methyl 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(2-amino-2-oxo-ethyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(2-amino-2-oxoethyl)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-(2-amino-2-oxoethyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H13N3O6S2 MolecularWeight: 395.41022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6S2/c16-10(19)7-25-15-13(17-11(20)5-12(17)26-15)14(21)24-6-8-1-3-9(4-2-8)18(22)23/h1-4,12H,5-7H2,(H2,16,19)