5-methyl-7-(3-methylphenyl)-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one

Systemtic Name: 5-methyl-7-(3-methylphenyl)-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Openeye Name: 5-methyl-7-(m-tolyl)-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one CAS Name: 5-methyl-7-(3-methylphenyl)-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one IUPAC Name: 5-methyl-7-(3-methylphenyl)-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Traditional Name: 5-methyl-7-(m-tolyl)-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=O)COC3(C)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC3=C(C=C2)NC(=O)COC3(C)C4=CC=CS4

InChI

InChI=1S/C21H19NO2S/c1-14-5-3-6-15(11-14)16-8-9-18-17(12-16)21(2,19-7-4-10-25-19)24-13-20(23)22-18/h3-12H,13H2,1-2H3,(H,22,23)