5-(5-ethyl-2-oxidanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 5-(5-ethyl-2-oxidanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[5-ethyl-2-oxo-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-[5-ethyl-2-oxo-5-(3-thiophenyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(5-ethyl-2-oxo-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[5-ethyl-2-keto-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CSC=C4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CSC=C4

InChI

InChI=1S/C20H17N3O2S/c1-2-20(14-7-8-26-12-14)16-9-13(17-6-4-15(10-21)22-17)3-5-18(16)23-19(24)11-25-20/h3-9,12,22H,2,11H2,1H3,(H,23,24)