(4-nitrophenyl)methyl 3-methyl-7-oxidanylidene-3-(pyrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-7-oxidanylidene-3-(pyrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methyl-7-oxo-3-(pyrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-methyl-7-oxo-3-(1-pyrazolylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-7-oxo-3-(pyrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-methyl-3-(pyrazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CN4C=CC=N4

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CN4C=CC=N4

InChI

InChI=1S/C18H18N4O5S/c1-18(11-20-8-2-7-19-20)16(21-14(23)9-15(21)28-18)17(24)27-10-12-3-5-13(6-4-12)22(25)26/h2-8,15-16H,9-11H2,1H3