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

Systemtic Name: 1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 1-[9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 1-[9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCCC#C)C3=CC=C(S3)C

Isomeric SMILES

CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCCC#C)C3=CC=C(S3)C

InChI

InChI=1S/C21H23NO3S/c1-4-6-10-24-18-13-16(19-8-7-15(3)26-19)12-17-14-22(20(23)5-2)9-11-25-21(17)18/h1,7-8,12-13H,5-6,9-11,14H2,2-3H3