4-methyl-5-(5-methyl-2-oxidanylidene-5-phenyl-1H-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile

Systemtic Name: 4-methyl-5-(5-methyl-2-oxidanylidene-5-phenyl-1H-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile Openeye Name: 4-methyl-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile CAS Name: 4-methyl-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)-2-thiophenecarbonitrile IUPAC Name: 4-methyl-5-(5-methyl-2-oxo-5-phenyl-1H-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile Traditional Name: 5-(2-keto-5-methyl-5-phenyl-1H-4,1-benzoxazepin-7-yl)-4-methyl-thiophene-2-carbonitrile Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C#N)C2=CC3=C(C=C2)NC(=O)COC3(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1)C#N)C2=CC3=C(C=C2)NC(=O)COC3(C)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S/c1-14-10-17(12-23)27-21(14)15-8-9-19-18(11-15)22(2,26-13-20(25)24-19)16-6-4-3-5-7-16/h3-11H,13H2,1-2H3,(H,24,25)