methyl (2R)-1-[[4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[[4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate Openeye Name: methyl (2R)-1-[(4-tetrahydrothiopyran-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidine-2-carboxylate CAS Name: (2R)-1-[[4-(4-thianyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[(4-tetrahydrothiopyran-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]pipecolinic acid methyl ester Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1CC2=CC3=C(C=C2)OCCN(C3)C4CCSCC4

Isomeric SMILES

COC(=O)[C@H]1CCCCN1CC2=CC3=C(C=C2)OCCN(C3)C4CCSCC4

InChI

InChI=1S/C22H32N2O3S/c1-26-22(25)20-4-2-3-9-24(20)15-17-5-6-21-18(14-17)16-23(10-11-27-21)19-7-12-28-13-8-19/h5-6,14,19-20H,2-4,7-13,15-16H2,1H3/t20-/m1/s1