4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzothiepin-5-ol

Systemtic Name: 4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzothiepin-5-ol Openeye Name: 4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzothiepin-5-ol CAS Name: 4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzothiepin-5-ol IUPAC Name: 4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzothiepin-5-ol Traditional Name: 4-(dimethylaminomethyl)-5-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzothiepin-5-ol Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCSC2=CC=CC=C2C1(C3=CC(=CC=C3)O)O

Isomeric SMILES

CN(C)CC1CCSC2=CC=CC=C2C1(C3=CC(=CC=C3)O)O

InChI

InChI=1S/C19H23NO2S/c1-20(2)13-15-10-11-23-18-9-4-3-8-17(18)19(15,22)14-6-5-7-16(21)12-14/h3-9,12,15,21-22H,10-11,13H2,1-2H3