2-[[3-chloranyl-2-(2,2-dimethylpropanoyl)phenyl]carbothioyl-cyclopentyl-amino]ethanoic acid

Systemtic Name: 2-[[3-chloranyl-2-(2,2-dimethylpropanoyl)phenyl]carbothioyl-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[[3-chloro-2-(2,2-dimethylpropanoyl)benzenecarbothioyl]-cyclopentyl-amino]acetic acid CAS Name: 2-[[[3-chloro-2-(2,2-dimethyl-1-oxopropyl)phenyl]-sulfanylidenemethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[[3-chloro-2-(2,2-dimethylpropanoyl)benzenecarbothioyl]-cyclopentylamino]acetic acid Traditional Name: 2-[(3-chloro-2-pivaloyl-thiobenzoyl)-cyclopentyl-amino]acetic acid Formula: C19H24ClNO3S MolecularWeight: 381.91676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C(C=CC=C1Cl)C(=S)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)C1=C(C=CC=C1Cl)C(=S)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C19H24ClNO3S/c1-19(2,3)17(24)16-13(9-6-10-14(16)20)18(25)21(11-15(22)23)12-7-4-5-8-12/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H,22,23)