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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC3=C(C=C2)NC(=O)COC3C4=CC=CS4)C#N

Isomeric SMILES

CN1C(=CC=C1C2=CC3=C(C=C2)NC(=O)COC3C4=CC=CS4)C#N

InChI

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