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

Systemtic Name: [9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methoxyphenyl)methanone CAS Name: [9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methoxyphenyl)methanone IUPAC Name: [9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methoxyphenyl)methanone Formula: C26H25NO4S MolecularWeight: 447.546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OCCC#C)OCCN(C3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25NO4S/c1-4-5-13-30-23-16-20(24-11-6-18(2)32-24)15-21-17-27(12-14-31-25(21)23)26(28)19-7-9-22(29-3)10-8-19/h1,6-11,15-16H,5,12-14,17H2,2-3H3