5,5-dimethyl-2-(6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4,6-dihydro-1,3-benzothiazol-7-one

Systemtic Name: 5,5-dimethyl-2-(6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4,6-dihydro-1,3-benzothiazol-7-one Openeye Name: 5,5-dimethyl-2-[6-(3-pyridyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-4,6-dihydro-1,3-benzothiazol-7-one CAS Name: 5,5-dimethyl-2-[6-(3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-4,6-dihydro-1,3-benzothiazol-7-one IUPAC Name: 5,5-dimethyl-2-(6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-4,6-dihydro-1,3-benzothiazol-7-one Traditional Name: 5,5-dimethyl-2-[6-(3-pyridyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-4,6-dihydro-1,3-benzothiazol-7-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)N3CCOC4=C3C=C(C=C4)C5=CN=CC=C5)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)N3CCOC4=C3C=C(C=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C22H21N3O2S/c1-22(2)11-16-20(18(26)12-22)28-21(24-16)25-8-9-27-19-6-5-14(10-17(19)25)15-4-3-7-23-13-15/h3-7,10,13H,8-9,11-12H2,1-2H3