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

Systemtic Name: 5-(5-ethyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-4-methyl-thiophene-2-carbonitrile Openeye Name: 5-[5-ethyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-4-methyl-thiophene-2-carbonitrile CAS Name: 5-(5-ethyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-4-methyl-2-thiophenecarbonitrile IUPAC Name: 5-(5-ethyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-4-methylthiophene-2-carbonitrile Traditional Name: 5-[5-ethyl-2-keto-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-4-methyl-thiophene-2-carbonitrile Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=C(C=C(S3)C#N)C)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=C(C=C(S3)C#N)C)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C21H18N2O2S2/c1-3-21(18-5-4-8-26-18)16-10-14(20-13(2)9-15(11-22)27-20)6-7-17(16)23-19(24)12-25-21/h4-10H,3,12H2,1-2H3,(H,23,24)