[nitro(phenyl)methyl] 3-methyl-7-oxidanylidene-3-(1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 3-methyl-7-oxidanylidene-3-(1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: [nitro(phenyl)methyl] 3-methyl-7-oxo-3-(triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-methyl-7-oxo-3-(1-triazolylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 3-methyl-7-oxo-3-(triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-methyl-3-(triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [nitro(phenyl)methyl] ester Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5S/c1-17(10-20-8-7-18-19-20)14(21-12(23)9-13(21)28-17)16(24)27-15(22(25)26)11-5-3-2-4-6-11/h2-8,13-15H,9-10H2,1H3