[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1,3-thiazol-5-yl)methanone

Systemtic Name: [9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1,3-thiazol-5-yl)methanone Openeye Name: [9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiazol-5-yl-methanone CAS Name: [9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-thiazolyl)methanone IUPAC Name: [9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1,3-thiazol-5-yl)methanone Traditional Name: [9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiazol-5-yl-methanone Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3=CN=CS3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)C3=CN=CS3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H20N2O3S2/c1-25-18-10-15(14-3-5-17(27-2)6-4-14)9-16-12-23(7-8-26-20(16)18)21(24)19-11-22-13-28-19/h3-6,9-11,13H,7-8,12H2,1-2H3