4-(2-azanylpropan-2-yl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzothiepin-8-ol

Systemtic Name: 4-(2-azanylpropan-2-yl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzothiepin-8-ol Openeye Name: 4-(1-amino-1-methyl-ethyl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzothiepin-8-ol CAS Name: 4-(2-aminopropan-2-yl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzothiepin-8-ol IUPAC Name: 4-(2-aminopropan-2-yl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzothiepin-8-ol Traditional Name: 4-(1-amino-1-methyl-ethyl)-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzothiepin-8-ol Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C2=C(C=C(C=C2)O)SCC1)C3=CC(=CC=C3)O)N

Isomeric SMILES

CC(C)(C1=C(C2=C(C=C(C=C2)O)SCC1)C3=CC(=CC=C3)O)N

InChI

InChI=1S/C19H21NO2S/c1-19(2,20)16-8-9-23-17-11-14(22)6-7-15(17)18(16)12-4-3-5-13(21)10-12/h3-7,10-11,21-22H,8-9,20H2,1-2H3