5-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]cyclohexa-1,3-dien-1-ol

Systemtic Name: 5-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]cyclohexa-1,3-dien-1-ol Openeye Name: 5-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]cyclohexa-1,3-dien-1-ol CAS Name: 5-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]-1-cyclohexa-1,3-dienol IUPAC Name: 5-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]cyclohexa-1,3-dien-1-ol Traditional Name: 5-[4-(dimethylaminomethyl)-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]cyclohexa-1,3-dien-1-ol Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=C(C=C(C=C2)OC)SCC1)C3CC(=CC=C3)O

Isomeric SMILES

CN(C)CC1=C(C2=C(C=C(C=C2)OC)SCC1)C3CC(=CC=C3)O

InChI

InChI=1S/C20H25NO2S/c1-21(2)13-15-9-10-24-19-12-17(23-3)7-8-18(19)20(15)14-5-4-6-16(22)11-14/h4-8,12,14,22H,9-11,13H2,1-3H3