tert-butyl (2S,3S)-3-[(6-methyl-2-oxidanylidene-1,4-dihydro-3,1-benzothiazin-7-yl)methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S)-3-[(6-methyl-2-oxidanylidene-1,4-dihydro-3,1-benzothiazin-7-yl)methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2S,3S)-3-[(6-methyl-2-oxo-1,4-dihydro-3,1-benzothiazin-7-yl)methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: (2S,3S)-3-[(6-methyl-2-oxo-1,4-dihydro-3,1-benzothiazin-7-yl)methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-3-[(6-methyl-2-oxo-1,4-dihydro-3,1-benzothiazin-7-yl)methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: (2S,3S)-3-[(2-keto-6-methyl-1,4-dihydro-3,1-benzothiazin-7-yl)methylamino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CSC(=O)N2)CNC3CCCN(C3C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CSC(=O)N2)CN[C@H]3CCCN([C@H]3C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N3O3S/c1-17-13-20-16-33-24(30)28-22(20)14-19(17)15-27-21-11-8-12-29(25(31)32-26(2,3)4)23(21)18-9-6-5-7-10-18/h5-7,9-10,13-14,21,23,27H,8,11-12,15-16H2,1-4H3,(H,28,30)/t21-,23-/m0/s1