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

Systemtic Name: 2-[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-(cyclopentylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2-cyclopentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(cyclopentylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C17H22N2O4S3 MolecularWeight: 414.56258

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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)SC3CCCC3

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3CCCC3

InChI

InChI=1S/C17H22N2O4S3/c1-10(2)15(16(20)21)19-26(22,23)12-7-8-13-14(9-12)25-17(18-13)24-11-5-3-4-6-11/h7-11,15,19H,3-6H2,1-2H3,(H,20,21)