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

Systemtic Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Openeye Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one CAS Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-penten-1-one IUPAC Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Traditional Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pent-4-en-1-one Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CCC=C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CCC=C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c1-3-4-9-20(25)24-10-11-27-21-16(14-24)12-15(13-18(21)26-2)22-23-17-7-5-6-8-19(17)28-22/h3,5-8,12-13H,1,4,9-11,14H2,2H3