ethyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[4-(p-tolylsulfonyl)butanoylamino]thiazole-4-carboxylate CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylphenyl)sulfonylbutanoylamino]-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-tosylbutanoylamino)thiazole-4-carboxylic acid ethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20N2O5S2/c1-3-24-16(21)14-11-25-17(18-14)19-15(20)5-4-10-26(22,23)13-8-6-12(2)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,18,19,20)