4-[bis(methylsulfanyl)methylidene]-5-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzothiepin-5-ol

Systemtic Name: 4-[bis(methylsulfanyl)methylidene]-5-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzothiepin-5-ol Openeye Name: 4-[bis(methylsulfanyl)methylene]-5-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzothiepin-5-ol CAS Name: 4-[bis(methylthio)methylidene]-5-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzothiepin-5-ol IUPAC Name: 4-[bis(methylsulfanyl)methylidene]-5-[(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzothiepin-5-ol Traditional Name: 4-[bis(methylthio)methylene]-5-(2,5-dimethoxybenzyl)-2,3-dihydro-1-benzothiepin-5-ol Formula: C22H26O3S3 MolecularWeight: 434.63504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC2(C(=C(SC)SC)CCSC3=CC=CC=C32)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC2(C(=C(SC)SC)CCSC3=CC=CC=C32)O

InChI

InChI=1S/C22H26O3S3/c1-24-16-9-10-19(25-2)15(13-16)14-22(23)17-7-5-6-8-20(17)28-12-11-18(22)21(26-3)27-4/h5-10,13,23H,11-12,14H2,1-4H3