2-[(E)-2-(2,4-dimethoxypyrimidin-5-yl)ethenyl]-3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(2,4-dimethoxypyrimidin-5-yl)ethenyl]-3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazole Openeye Name: 2-[(E)-2-(2,4-dimethoxypyrimidin-5-yl)vinyl]-3-(p-tolylsulfonyl)-2H-1,3-benzothiazole CAS Name: 2-[(E)-2-(2,4-dimethoxy-5-pyrimidinyl)ethenyl]-3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(2,4-dimethoxypyrimidin-5-yl)ethenyl]-3-(4-methylphenyl)sulfonyl-2H-1,3-benzothiazole Traditional Name: 2-[(E)-2-(2,4-dimethoxypyrimidin-5-yl)vinyl]-3-tosyl-2H-1,3-benzothiazole Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(SC3=CC=CC=C32)C=CC4=CN=C(N=C4OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(SC3=CC=CC=C32)/C=C/C4=CN=C(N=C4OC)OC

InChI

InChI=1S/C22H21N3O4S2/c1-15-8-11-17(12-9-15)31(26,27)25-18-6-4-5-7-19(18)30-20(25)13-10-16-14-23-22(29-3)24-21(16)28-2/h4-14,20H,1-3H3/b13-10+