2-[[(Z)-4-cyclopentyl-2-(4-methylsulfonylphenyl)but-2-enoyl]amino]-1,3-thiazole-4-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=CCC2CCCC2)C(=O)NC3=NC(=CS3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S2/c1-29(26,27)15-9-7-14(8-10-15)16(11-6-13-4-2-3-5-13)18(23)22-20-21-17(12-28-20)19(24)25/h7-13H,2-6H2,1H3,(H,24,25)(H,21,22,23)/b16-11-