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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC)OC

InChI

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