1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Openeye Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one CAS Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-1-propanone IUPAC Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methylpropan-1-one Traditional Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCOC2=C(C1)C=C(C=C2OC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C(=O)N1CCOC2=C(C1)C=C(C=C2OC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S/c1-13(2)21(24)23-8-9-26-19-15(12-23)10-14(11-17(19)25-3)20-22-16-6-4-5-7-18(16)27-20/h4-7,10-11,13H,8-9,12H2,1-3H3