(diphenylmethyl) 3-methyl-7-oxidanylidene-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-methyl-7-oxidanylidene-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl 3-methyl-7-oxo-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-methyl-7-oxo-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-methyl-7-oxo-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-methyl-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CSC#N

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CSC#N

InChI

InChI=1S/C22H20N2O3S2/c1-22(13-28-14-23)20(24-17(25)12-18(24)29-22)21(26)27-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18-20H,12-13H2,1H3