2-[[2-(4-fluorophenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(4-fluorophenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4-fluorophenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4-fluorophenyl)thio]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-fluorophenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(4-fluorophenyl)thio]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C18H17FN2O4S3 MolecularWeight: 440.531983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O4S3/c1-10(2)16(17(22)23)21-28(24,25)13-7-8-14-15(9-13)27-18(20-14)26-12-5-3-11(19)4-6-12/h3-10,16,21H,1-2H3,(H,22,23)