7-(1,3-benzothiazol-2-yl)-4-[(E)-2-methylbut-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(E)-2-methylbut-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(E)-2-methylbut-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(E)-2-methylbut-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(E)-2-methylbut-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-[(E)-2-methylbut-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)CN1CCOC2=C(C1)C=C(C=C2O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C/C=C(\C)/CN1CCOC2=C(C1)C=C(C=C2O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S/c1-3-14(2)12-23-8-9-25-20-16(13-23)10-15(11-18(20)24)21-22-17-6-4-5-7-19(17)26-21/h3-7,10-11,24H,8-9,12-13H2,1-2H3/b14-3+