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

Systemtic Name: ethyl 4-methyl-2-[(3-methylsulfonylphenyl)carbonyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(3-methylsulfonylbenzoyl)-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[(3-methylsulfonylphenyl)-oxomethyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-methylsulfonylbenzoyl)-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(3-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(=CC=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

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