1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)C(=O)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)C(=O)C

InChI

InChI=1S/C20H21NO3S/c1-4-5-9-23-18-12-16(19-7-6-14(2)25-19)11-17-13-21(15(3)22)8-10-24-20(17)18/h1,6-7,11-12H,5,8-10,13H2,2-3H3