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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CSC=C4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CSC=C4

InChI

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