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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-1-propanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methylpropan-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)C(C)C)C3=CSC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)C(C)C)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H25NO3S/c1-4-26-20-12-16(19-14-28-21-8-6-5-7-18(19)21)11-17-13-24(23(25)15(2)3)9-10-27-22(17)20/h5-8,11-12,14-15H,4,9-10,13H2,1-3H3