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

Systemtic Name: 5-(2-oxidanylidene-5-thiophen-2-yl-1,5-dihydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[2-oxo-5-(2-thienyl)-1,5-dihydro-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-(2-oxo-5-thiophen-2-yl-1,5-dihydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(2-oxo-5-thiophen-2-yl-1,5-dihydro-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[2-keto-5-(2-thienyl)-1,5-dihydro-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)C3=CC=C(N3)C#N)C(O1)C4=CC=CS4

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)C3=CC=C(N3)C#N)C(O1)C4=CC=CS4

InChI

InChI=1S/C18H13N3O2S/c19-9-12-4-6-14(20-12)11-3-5-15-13(8-11)18(16-2-1-7-24-16)23-10-17(22)21-15/h1-8,18,20H,10H2,(H,21,22)