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

Systemtic Name: 5-(5-methyl-2-oxidanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-1,2-dicarbonitrile Openeye Name: 5-[5-methyl-2-oxo-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-1,2-dicarbonitrile CAS Name: 5-[5-methyl-2-oxo-5-(3-thiophenyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-1,2-dicarbonitrile IUPAC Name: 5-(5-methyl-2-oxo-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-1,2-dicarbonitrile Traditional Name: 5-[2-keto-5-methyl-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-1,2-dicarbonitrile Formula: C20H14N4O2S MolecularWeight: 374.41576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C#N)C#N)NC(=O)CO1)C4=CSC=C4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C#N)C#N)NC(=O)CO1)C4=CSC=C4

InChI

InChI=1S/C20H14N4O2S/c1-20(14-6-7-27-11-14)16-8-13(2-4-17(16)23-19(25)10-26-20)18-5-3-15(9-21)24(18)12-22/h2-8,11H,10H2,1H3,(H,23,25)