3-(1,3-benzothiazol-5-yl)-5-methyl-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)furan-2-one

Systemtic Name: 3-(1,3-benzothiazol-5-yl)-5-methyl-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)furan-2-one Openeye Name: 3-(1,3-benzothiazol-5-yl)-5-methyl-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)furan-2-one CAS Name: 3-(1,3-benzothiazol-5-yl)-5-methyl-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-furanone IUPAC Name: 3-(1,3-benzothiazol-5-yl)-5-methyl-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)furan-2-one Traditional Name: 3-(1,3-benzothiazol-5-yl)-4-(4-mesylphenyl)-5-methyl-5-(trifluoromethyl)furan-2-one Formula: C20H14F3NO4S2 MolecularWeight: 453.45467

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)C2=CC3=C(C=C2)SC=N3)C4=CC=C(C=C4)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC1(C(=C(C(=O)O1)C2=CC3=C(C=C2)SC=N3)C4=CC=C(C=C4)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C20H14F3NO4S2/c1-19(20(21,22)23)17(11-3-6-13(7-4-11)30(2,26)27)16(18(25)28-19)12-5-8-15-14(9-12)24-10-29-15/h3-10H,1-2H3