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

Systemtic Name: 1-ethyl-5-(5-methyl-2-oxidanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Openeye Name: 1-ethyl-5-[5-methyl-2-oxo-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-2-carbonitrile CAS Name: 1-ethyl-5-[5-methyl-2-oxo-5-(3-thiophenyl)-1H-4,1-benzoxazepin-7-yl]-2-pyrrolecarbonitrile IUPAC Name: 1-ethyl-5-(5-methyl-2-oxo-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Traditional Name: 1-ethyl-5-[2-keto-5-methyl-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-2-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C2=CC3=C(C=C2)NC(=O)COC3(C)C4=CSC=C4)C#N

Isomeric SMILES

CCN1C(=CC=C1C2=CC3=C(C=C2)NC(=O)COC3(C)C4=CSC=C4)C#N

InChI

InChI=1S/C21H19N3O2S/c1-3-24-16(11-22)5-7-19(24)14-4-6-18-17(10-14)21(2,15-8-9-27-13-15)26-12-20(25)23-18/h4-10,13H,3,12H2,1-2H3,(H,23,25)