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

Systemtic Name: 5-(5-ethyl-1-methyl-2-oxidanylidene-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile Openeye Name: 5-[5-ethyl-1-methyl-2-oxo-5-(2-thienyl)-4,1-benzoxazepin-7-yl]-1-methyl-pyrrole-2-carbonitrile CAS Name: 5-(5-ethyl-1-methyl-2-oxo-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 5-(5-ethyl-1-methyl-2-oxo-5-thiophen-2-yl-4,1-benzoxazepin-7-yl)-1-methylpyrrole-2-carbonitrile Traditional Name: 5-[5-ethyl-2-keto-1-methyl-5-(2-thienyl)-4,1-benzoxazepin-7-yl]-1-methyl-pyrrole-2-carbonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)N(C(=O)CO1)C)C4=CC=CS4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)N(C(=O)CO1)C)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S/c1-4-22(20-6-5-11-28-20)17-12-15(18-10-8-16(13-23)24(18)2)7-9-19(17)25(3)21(26)14-27-22/h5-12H,4,14H2,1-3H3