7-(2,3-dimethoxyphenyl)-9-methoxy-4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[[4-(methylthio)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(2,3-dimethoxyphenyl)-9-methoxy-4-[4-(methylthio)benzyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H29NO4S/c1-28-23-7-5-6-22(26(23)30-3)19-14-20-17-27(12-13-31-25(20)24(15-19)29-2)16-18-8-10-21(32-4)11-9-18/h5-11,14-15H,12-13,16-17H2,1-4H3