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

Systemtic Name: 2-[[2-(4-methoxyphenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4-methoxyphenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(4-methoxyphenyl)thio]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-methoxyphenyl)sulfanyl-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(4-methoxyphenyl)thio]-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C19H20N2O5S3 MolecularWeight: 452.5675

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S3/c1-11(2)17(18(22)23)21-29(24,25)14-8-9-15-16(10-14)28-19(20-15)27-13-6-4-12(26-3)5-7-13/h4-11,17,21H,1-3H3,(H,22,23)