(2-methylsulfanylpyridin-3-yl)-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: [2-(methylthio)-3-pyridyl]-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S/c1-27-21-18(11-7-13-23-21)22(25)24-14-17-10-5-6-12-19(17)26-20(15-24)16-8-3-2-4-9-16/h2-13,20H,14-15H2,1H3/t20-/m1/s1