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

Systemtic Name: 2-[[(E)-but-2-enoyl]amino]-2-cyclopentyl-4-(4-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[[(E)-but-2-enoyl]amino]-2-cyclopentyl-4-(4-methylsulfonylphenyl)thiazolidine-4-carboxylic acid CAS Name: 2-cyclopentyl-4-(4-methylsulfonylphenyl)-2-[[(E)-1-oxobut-2-enyl]amino]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[[(E)-but-2-enoyl]amino]-2-cyclopentyl-4-(4-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[[(E)-but-2-enoyl]amino]-2-cyclopentyl-4-(4-mesylphenyl)thiazolidine-4-carboxylic acid Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1(NC(CS1)(C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O)C3CCCC3

Isomeric SMILES

C/C=C/C(=O)NC1(NC(CS1)(C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O)C3CCCC3

InChI

InChI=1S/C20H26N2O5S2/c1-3-6-17(23)21-20(15-7-4-5-8-15)22-19(13-28-20,18(24)25)14-9-11-16(12-10-14)29(2,26)27/h3,6,9-12,15,22H,4-5,7-8,13H2,1-2H3,(H,21,23)(H,24,25)/b6-3+