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

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1,3-benzothiazole-2-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)OCC(C1=O)(C)C

InChI

InChI=1S/C21H21N3O3S/c1-4-24-15-10-9-13(11-16(15)27-12-21(2,3)20(24)26)22-18(25)19-23-14-7-5-6-8-17(14)28-19/h5-11H,4,12H2,1-3H3,(H,22,25)