(3-oxidanylidene-1,4-benzothiazin-4-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (3-oxidanylidene-1,4-benzothiazin-4-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: (3-oxo-1,4-benzothiazin-4-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid (3-oxo-1,4-benzothiazin-4-yl) ester IUPAC Name: (3-oxo-1,4-benzothiazin-4-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid (3-keto-1,4-benzothiazin-4-yl) ester Formula: C36H33N3O3S MolecularWeight: 587.73052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)ON3C(=O)CSC4=CC=CC=C43)CCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)ON3C(=O)CSC4=CC=CC=C43)CCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H33N3O3S/c37-27-36(29-14-6-2-7-15-29,30-16-8-3-9-17-30)22-25-38-23-20-35(21-24-38,28-12-4-1-5-13-28)34(41)42-39-31-18-10-11-19-32(31)43-26-33(39)40/h1-19H,20-26H2