4-[[(E)-but-2-enoyl]amino]-2-(4-cyclopentyl-2-methylsulfonyl-phenyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-[[(E)-but-2-enoyl]amino]-2-(4-cyclopentyl-2-methylsulfonyl-phenyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-[[(E)-but-2-enoyl]amino]-2-(4-cyclopentyl-2-methylsulfonyl-phenyl)thiazole-5-carboxylic acid CAS Name: 2-(4-cyclopentyl-2-methylsulfonylphenyl)-4-[[(E)-1-oxobut-2-enyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-[[(E)-but-2-enoyl]amino]-2-(4-cyclopentyl-2-methylsulfonylphenyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-[[(E)-but-2-enoyl]amino]-2-(4-cyclopentyl-2-mesyl-phenyl)thiazole-5-carboxylic acid Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=C(SC(=N1)C2=C(C=C(C=C2)C3CCCC3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

C/C=C/C(=O)NC1=C(SC(=N1)C2=C(C=C(C=C2)C3CCCC3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C20H22N2O5S2/c1-3-6-16(23)21-18-17(20(24)25)28-19(22-18)14-10-9-13(12-7-4-5-8-12)11-15(14)29(2,26)27/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,21,23)(H,24,25)/b6-3+