1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Openeye Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one CAS Name: 1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-1-propanone IUPAC Name: 1-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methylpropan-1-one Traditional Name: 1-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C(=O)N1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25NO3S/c1-14(2)21(23)22-9-10-25-20-17(13-22)11-16(12-19(20)24-3)15-5-7-18(26-4)8-6-15/h5-8,11-12,14H,9-10,13H2,1-4H3