2-ethyl-1-[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one Openeye Name: 2-ethyl-1-[7-(5-methyl-2-thienyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one CAS Name: 2-ethyl-1-[7-(5-methyl-2-thiophenyl)-9-(2-oxanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-butanone IUPAC Name: 2-ethyl-1-[7-(5-methylthiophen-2-yl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one Traditional Name: 2-ethyl-1-[7-(5-methyl-2-thienyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCCO3)C4=CC=C(S4)C

Isomeric SMILES

CCC(CC)C(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCCO3)C4=CC=C(S4)C

InChI

InChI=1S/C26H35NO4S/c1-4-19(5-2)26(28)27-11-13-30-25-21(16-27)14-20(24-10-9-18(3)32-24)15-23(25)31-17-22-8-6-7-12-29-22/h9-10,14-15,19,22H,4-8,11-13,16-17H2,1-3H3