ethyl 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-3-methylsulfonyl-phenyl)carbonyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-methylsulfonyl-benzoyl)-pentyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]-pentylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-methylsulfonylbenzoyl)-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(4-chloro-3-mesyl-benzoyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H25ClN2O5S2 MolecularWeight: 473.0059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H25ClN2O5S2/c1-5-7-8-11-23(20-22-13(3)17(29-20)19(25)28-6-2)18(24)14-9-10-15(21)16(12-14)30(4,26)27/h9-10,12H,5-8,11H2,1-4H3