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

Systemtic Name: 2-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-(cyclohexylmethylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(cyclohexylmethylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C19H26N2O4S3 MolecularWeight: 442.61574

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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)SCC3CCCCC3

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SCC3CCCCC3

InChI

InChI=1S/C19H26N2O4S3/c1-12(2)17(18(22)23)21-28(24,25)14-8-9-15-16(10-14)27-19(20-15)26-11-13-6-4-3-5-7-13/h8-10,12-13,17,21H,3-7,11H2,1-2H3,(H,22,23)