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

Systemtic Name: 5-[[(E)-but-2-enoyl]amino]-4-cyclopentyl-2-(4-methylsulfonylphenyl)-5H-1,3-thiazole-4-carboxylic acid Openeye Name: 5-[[(E)-but-2-enoyl]amino]-4-cyclopentyl-2-(4-methylsulfonylphenyl)-5H-thiazole-4-carboxylic acid CAS Name: 4-cyclopentyl-2-(4-methylsulfonylphenyl)-5-[[(E)-1-oxobut-2-enyl]amino]-5H-thiazole-4-carboxylic acid IUPAC Name: 5-[[(E)-but-2-enoyl]amino]-4-cyclopentyl-2-(4-methylsulfonylphenyl)-5H-1,3-thiazole-4-carboxylic acid Traditional Name: 5-[[(E)-but-2-enoyl]amino]-4-cyclopentyl-2-(4-mesylphenyl)-2-thiazoline-4-carboxylic acid Formula: C20H24N2O5S2 MolecularWeight: 436.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1C(N=C(S1)C2=CC=C(C=C2)S(=O)(=O)C)(C3CCCC3)C(=O)O

Isomeric SMILES

C/C=C/C(=O)NC1C(N=C(S1)C2=CC=C(C=C2)S(=O)(=O)C)(C3CCCC3)C(=O)O

InChI

InChI=1S/C20H24N2O5S2/c1-3-6-16(23)21-18-20(19(24)25,14-7-4-5-8-14)22-17(28-18)13-9-11-15(12-10-13)29(2,26)27/h3,6,9-12,14,18H,4-5,7-8H2,1-2H3,(H,21,23)(H,24,25)/b6-3+