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

Systemtic Name: ethyl 4-methyl-2-[(4-methylsulfonylphenyl)carbonyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-methylsulfonylbenzoyl)-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[(4-methylsulfonylphenyl)-oxomethyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-methylsulfonylbenzoyl)-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(4-mesylbenzoyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S2/c1-5-7-8-13-22(20-21-14(3)17(28-20)19(24)27-6-2)18(23)15-9-11-16(12-10-15)29(4,25)26/h9-12H,5-8,13H2,1-4H3