(diphenylmethyl) 7-isocyano-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-isocyano-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-isocyano-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-isocyano-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-isocyano-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-isocyano-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)[N+]#[C-])SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C(C(C2=O)[N+]#[C-])SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c1-14-13-28-21-17(23-2)20(25)24(21)18(14)22(26)27-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19,21H,13H2,1H3