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

Systemtic Name: 5-[5-methyl-2-oxidanylidene-5-(1,3-thiazol-2-yl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Openeye Name: 5-(5-methyl-2-oxo-5-thiazol-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-[5-methyl-2-oxo-5-(2-thiazolyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile IUPAC Name: 5-[5-methyl-2-oxo-5-(1,3-thiazol-2-yl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Traditional Name: 5-(2-keto-5-methyl-5-thiazol-2-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Formula: C18H14N4O2S MolecularWeight: 350.39436

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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=NC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O2S/c1-18(17-20-6-7-25-17)13-8-11(14-5-3-12(9-19)21-14)2-4-15(13)22-16(23)10-24-18/h2-8,21H,10H2,1H3,(H,22,23)