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

Systemtic Name: 5-(5-ethyl-1-methyl-2-oxidanylidene-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[5-ethyl-1-methyl-2-oxo-5-(2-thienyl)-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-(5-ethyl-1-methyl-2-oxo-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(5-ethyl-1-methyl-2-oxo-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[5-ethyl-2-keto-1-methyl-5-(2-thienyl)-4,1-benzoxazepin-7-yl]-1H-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(N3)C#N)N(C(=O)CO1)C)C4=CC=CS4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)N(C(=O)CO1)C)C4=CC=CS4

InChI

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