2-[3-chloranyl-2-(2,4-dichlorophenyl)-2-methyl-4-oxidanylidene-azetidin-1-yl]-1,3-benzothiazole-6-sulfonic acid

Systemtic Name: 2-[3-chloranyl-2-(2,4-dichlorophenyl)-2-methyl-4-oxidanylidene-azetidin-1-yl]-1,3-benzothiazole-6-sulfonic acid Openeye Name: 2-[3-chloro-2-(2,4-dichlorophenyl)-2-methyl-4-oxo-azetidin-1-yl]-1,3-benzothiazole-6-sulfonic acid CAS Name: 2-[3-chloro-2-(2,4-dichlorophenyl)-2-methyl-4-oxo-1-azetidinyl]-1,3-benzothiazole-6-sulfonic acid IUPAC Name: 2-[3-chloro-2-(2,4-dichlorophenyl)-2-methyl-4-oxoazetidin-1-yl]-1,3-benzothiazole-6-sulfonic acid Traditional Name: 2-[3-chloro-2-(2,4-dichlorophenyl)-4-keto-2-methyl-azetidin-1-yl]-1,3-benzothiazole-6-sulfonic acid Formula: C17H11Cl3N2O4S2 MolecularWeight: 477.76924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)N1C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)O)Cl)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1(C(C(=O)N1C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)O)Cl)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H11Cl3N2O4S2/c1-17(10-4-2-8(18)6-11(10)19)14(20)15(23)22(17)16-21-12-5-3-9(28(24,25)26)7-13(12)27-16/h2-7,14H,1H3,(H,24,25,26)