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

Systemtic Name: 2-[cyclopentyl-[2-(2,2-dimethylpropanoyl)-3-methoxy-phenyl]carbothioyl-amino]ethanoic acid Openeye Name: 2-[cyclopentyl-[2-(2,2-dimethylpropanoyl)-3-methoxy-benzenecarbothioyl]amino]acetic acid CAS Name: 2-[cyclopentyl-[[2-(2,2-dimethyl-1-oxopropyl)-3-methoxyphenyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[cyclopentyl-[2-(2,2-dimethylpropanoyl)-3-methoxybenzenecarbothioyl]amino]acetic acid Traditional Name: 2-[cyclopentyl-(3-methoxy-2-pivaloyl-thiobenzoyl)amino]acetic acid Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C(C=CC=C1OC)C(=S)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)C1=C(C=CC=C1OC)C(=S)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C20H27NO4S/c1-20(2,3)18(24)17-14(10-7-11-15(17)25-4)19(26)21(12-16(22)23)13-8-5-6-9-13/h7,10-11,13H,5-6,8-9,12H2,1-4H3,(H,22,23)