3,3-dimethyl-7-methylsulfanyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol

Systemtic Name: 3,3-dimethyl-7-methylsulfanyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 3,3-dimethyl-7-methylsulfanyl-5-(2-pyridyl)-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 3,3-dimethyl-7-(methylthio)-5-(2-pyridinyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 3,3-dimethyl-7-methylsulfanyl-5-pyridin-2-yl-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 3,3-dimethyl-7-(methylthio)-5-(2-pyridyl)-2,4-dihydro-1-benzoxepin-5-ol Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C=CC(=C2)SC)OC1)(C3=CC=CC=N3)O)C

Isomeric SMILES

CC1(CC(C2=C(C=CC(=C2)SC)OC1)(C3=CC=CC=N3)O)C

InChI

InChI=1S/C18H21NO2S/c1-17(2)11-18(20,16-6-4-5-9-19-16)14-10-13(22-3)7-8-15(14)21-12-17/h4-10,20H,11-12H2,1-3H3