(4-nitrophenyl)methyl 6-methoxy-7-oxidanylidene-3-(2-oxidanylidenepropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-methoxy-7-oxidanylidene-3-(2-oxidanylidenepropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-acetonylsulfanyl-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-methoxy-7-oxo-3-(2-oxopropylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-methoxy-7-oxo-3-(2-oxopropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(acetonylthio)-7-keto-6-methoxy-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H16N2O7S2 MolecularWeight: 424.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(N2C(S1)C(C2=O)OC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=C(N2C(S1)C(C2=O)OC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S2/c1-9(20)8-27-17-12(18-14(21)13(25-2)15(18)28-17)16(22)26-7-10-3-5-11(6-4-10)19(23)24/h3-6,13,15H,7-8H2,1-2H3