N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)nicotinamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC)OCC(C1=O)(C)C

InChI

InChI=1S/C20H23N3O3S/c1-5-23-15-9-8-13(11-16(15)26-12-20(2,3)19(23)25)22-17(24)14-7-6-10-21-18(14)27-4/h6-11H,5,12H2,1-4H3,(H,22,24)