3-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile

Systemtic Name: 3-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile Openeye Name: 3-[5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile CAS Name: 3-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile IUPAC Name: 3-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile Traditional Name: 3-[2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=CC(=C3)C#N)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=CC(=C3)C#N)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C21H16N2O2S/c1-21(19-6-3-9-26-19)17-11-16(15-5-2-4-14(10-15)12-22)7-8-18(17)23-20(24)13-25-21/h2-11H,13H2,1H3,(H,23,24)