2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)-1-oxopropyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[3-cyclopentyl-2-(4-mesylphenyl)propanoyl]amino]thiazol-4-yl]acetic acid Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC(=CS3)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC(=CS3)CC(=O)O

InChI

InChI=1S/C20H24N2O5S2/c1-29(26,27)16-8-6-14(7-9-16)17(10-13-4-2-3-5-13)19(25)22-20-21-15(12-28-20)11-18(23)24/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,23,24)(H,21,22,25)