5-[1,5-dimethyl-2-oxidanylidene-5-(1,3-thiazol-2-yl)-4,1-benzoxazepin-7-yl]-1-methyl-pyrrole-2-carbonitrile

Systemtic Name: 5-[1,5-dimethyl-2-oxidanylidene-5-(1,3-thiazol-2-yl)-4,1-benzoxazepin-7-yl]-1-methyl-pyrrole-2-carbonitrile Openeye Name: 5-(1,5-dimethyl-2-oxo-5-thiazol-2-yl-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile CAS Name: 5-[1,5-dimethyl-2-oxo-5-(2-thiazolyl)-4,1-benzoxazepin-7-yl]-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 5-[1,5-dimethyl-2-oxo-5-(1,3-thiazol-2-yl)-4,1-benzoxazepin-7-yl]-1-methylpyrrole-2-carbonitrile Traditional Name: 5-(2-keto-1,5-dimethyl-5-thiazol-2-yl-4,1-benzoxazepin-7-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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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=NC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-20(19-22-8-9-27-19)15-10-13(16-7-5-14(11-21)23(16)2)4-6-17(15)24(3)18(25)12-26-20/h4-10H,12H2,1-3H3