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

Systemtic Name: [9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,5-dimethoxyphenyl)methanone Openeye Name: [9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,5-dimethoxyphenyl)methanone CAS Name: [9-but-3-ynoxy-7-(5-methyl-2-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,5-dimethoxyphenyl)methanone IUPAC Name: [9-but-3-ynoxy-7-(5-methylthiophen-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,5-dimethoxyphenyl)methanone Traditional Name: [9-but-3-ynoxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,5-dimethoxyphenyl)methanone Formula: C27H27NO5S MolecularWeight: 477.57198

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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)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO5S/c1-5-6-12-32-24-15-19(25-10-7-18(2)34-25)14-20-17-28(11-13-33-26(20)24)27(29)22-16-21(30-3)8-9-23(22)31-4/h1,7-10,14-16H,6,11-13,17H2,2-4H3