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

Systemtic Name: 5-(2-oxidanylidene-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[2-oxo-5-propyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-(2-oxo-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(2-oxo-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[2-keto-5-propyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CCCC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C21H19N3O2S/c1-2-9-21(19-4-3-10-27-19)16-11-14(17-8-6-15(12-22)23-17)5-7-18(16)24-20(25)13-26-21/h3-8,10-11,23H,2,9,13H2,1H3,(H,24,25)