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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCOC2=C(C1)C=C(C=C2OC)C3=CSC4=CC=CC=C43

Isomeric SMILES

CCC(=O)N1CCOC2=C(C1)C=C(C=C2OC)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H21NO3S/c1-3-20(23)22-8-9-25-21-15(12-22)10-14(11-18(21)24-2)17-13-26-19-7-5-4-6-16(17)19/h4-7,10-11,13H,3,8-9,12H2,1-2H3