[7-azanyl-7-methyl-2-(4-nitrophenoxy)sulfonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ethanoate

Systemtic Name: [7-azanyl-7-methyl-2-(4-nitrophenoxy)sulfonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ethanoate Openeye Name: [7-amino-7-methyl-2-(4-nitrophenoxy)sulfonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate CAS Name: acetic acid [7-amino-7-methyl-2-(4-nitrophenoxy)sulfonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester IUPAC Name: [7-amino-7-methyl-2-(4-nitrophenoxy)sulfonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate Traditional Name: acetic acid [7-amino-8-keto-7-methyl-2-(4-nitrophenoxy)sulfonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester Formula: C16H17N3O8S2 MolecularWeight: 443.45148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(C)N)SC1)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(C)N)SC1)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O8S2/c1-9(20)26-7-10-8-28-15-16(2,17)14(21)18(15)13(10)29(24,25)27-12-5-3-11(4-6-12)19(22)23/h3-6,15H,7-8,17H2,1-2H3