ethyl 2-[4-(4-chlorophenyl)sulfonylbutanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)sulfonylbutanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)sulfonylbutanoylamino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[4-(4-chlorophenyl)sulfonyl-1-oxobutyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)sulfonylbutanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(4-chlorophenyl)sulfonylbutanoylamino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O5S2/c1-2-30-21(27)20-19(15-7-4-3-5-8-15)25-22(31-20)24-18(26)9-6-14-32(28,29)17-12-10-16(23)11-13-17/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,24,25,26)