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

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

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)N(C(=O)CO1)C)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)N(C(=O)CO1)C)C4=CC=CS4

InChI

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