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

Systemtic Name: 4-methyl-5-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile Openeye Name: 4-methyl-5-[5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]thiophene-2-carbonitrile CAS Name: 4-methyl-5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-thiophenecarbonitrile IUPAC Name: 4-methyl-5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile Traditional Name: 5-[2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-4-methyl-thiophene-2-carbonitrile Formula: C20H16N2O2S2 MolecularWeight: 380.48324

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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=CS4

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O2S2/c1-12-8-14(10-21)26-19(12)13-5-6-16-15(9-13)20(2,17-4-3-7-25-17)24-11-18(23)22-16/h3-9H,11H2,1-2H3,(H,22,23)