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

Systemtic Name: 1-methyl-5-(2-oxidanylidene-5-propan-2-yl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Openeye Name: 5-[5-isopropyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1-methyl-pyrrole-2-carbonitrile CAS Name: 1-methyl-5-(2-oxo-5-propan-2-yl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(2-oxo-5-propan-2-yl-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Traditional Name: 5-[5-isopropyl-2-keto-5-(2-thienyl)-1H-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:

CC(C)C1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC(C)C1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S/c1-14(2)22(20-5-4-10-28-20)17-11-15(19-9-7-16(12-23)25(19)3)6-8-18(17)24-21(26)13-27-22/h4-11,14H,13H2,1-3H3,(H,24,26)