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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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