4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 4-[(2,4-dimethoxy-3-methylphenyl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 4-[(2,4-dimethoxy-3-methylphenyl)methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-(2,4-dimethoxy-3-methyl-benzyl)-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)CN2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)CN2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4)OC

InChI

InChI=1S/C23H25NO4S/c1-15-20(26-2)7-6-16(22(15)27-3)13-24-8-9-28-23-18(14-24)11-17(12-19(23)25)21-5-4-10-29-21/h4-7,10-12,25H,8-9,13-14H2,1-3H3