ethyl 2-[[(E)-4-cyclopentyl-2-(4-methylsulfonylphenyl)but-2-enoyl]amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(E)-4-cyclopentyl-2-(4-methylsulfonylphenyl)but-2-enoyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(E)-4-cyclopentyl-2-(4-methylsulfonylphenyl)but-2-enoyl]amino]thiazole-4-carboxylate CAS Name: 2-[[(E)-4-cyclopentyl-2-(4-methylsulfonylphenyl)-1-oxobut-2-enyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-4-cyclopentyl-2-(4-methylsulfonylphenyl)but-2-enoyl]amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(E)-4-cyclopentyl-2-(4-mesylphenyl)but-2-enoyl]amino]thiazole-4-carboxylic acid ethyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)C(=CCC2CCCC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)/C(=C/CC2CCCC2)/C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O5S2/c1-3-29-21(26)19-14-30-22(23-19)24-20(25)18(13-8-15-6-4-5-7-15)16-9-11-17(12-10-16)31(2,27)28/h9-15H,3-8H2,1-2H3,(H,23,24,25)/b18-13+