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

Systemtic Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(4-chlorobenzyl)thio]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C19H19ClN2O4S3 MolecularWeight: 471.01316

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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)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O4S3/c1-11(2)17(18(23)24)22-29(25,26)14-7-8-15-16(9-14)28-19(21-15)27-10-12-3-5-13(20)6-4-12/h3-9,11,17,22H,10H2,1-2H3,(H,23,24)