(4-nitrophenyl)methyl 3-methyl-8-oxidanylidene-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-8-oxidanylidene-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-methyl-8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methyl-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(CC2=O)SN1C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N2C(CC2=O)SN1C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-13-19(20(25)28-12-14-7-9-16(10-8-14)23(26)27)21-17(24)11-18(21)29-22(13)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3