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

Systemtic Name: 3-methyl-2-[[2-(4-methylphenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(p-tolylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[2-[(4-methylphenyl)thio]-1,3-benzothiazol-6-yl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-methylphenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[2-(p-tolylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butyric acid Formula: C19H20N2O4S3 MolecularWeight: 436.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C19H20N2O4S3/c1-11(2)17(18(22)23)21-28(24,25)14-8-9-15-16(10-14)27-19(20-15)26-13-6-4-12(3)5-7-13/h4-11,17,21H,1-3H3,(H,22,23)