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

Systemtic Name: 5-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C19H15N3O2S/c1-19(17-3-2-8-25-17)14-9-12(15-7-5-13(10-20)21-15)4-6-16(14)22-18(23)11-24-19/h2-9,21H,11H2,1H3,(H,22,23)