4-(5-ethyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)furan-2-carbonitrile

Systemtic Name: 4-(5-ethyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)furan-2-carbonitrile Openeye Name: 4-[5-ethyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]furan-2-carbonitrile CAS Name: 4-(5-ethyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-furancarbonitrile IUPAC Name: 4-(5-ethyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)furan-2-carbonitrile Traditional Name: 4-[5-ethyl-2-keto-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-2-furonitrile Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=COC(=C3)C#N)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=COC(=C3)C#N)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C20H16N2O3S/c1-2-20(18-4-3-7-26-18)16-9-13(14-8-15(10-21)24-11-14)5-6-17(16)22-19(23)12-25-20/h3-9,11H,2,12H2,1H3,(H,22,23)