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

Systemtic Name: methyl 2-[[(E)-4-cyclopentyl-2-(4-methylsulfonylphenyl)but-2-enoyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-28-20(25)18-13-29-21(22-18)23-19(24)17(12-7-14-5-3-4-6-14)15-8-10-16(11-9-15)30(2,26)27/h8-14H,3-7H2,1-2H3,(H,22,23,24)/b17-12+