1-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]cyclopentanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC2(CCCC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2(CCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-11-5-6-12(2)13(9-11)21-10-14(18)17-16(15(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)(H,19,20)