ethyl 4-phenyl-2-[4-(phenylsulfonyl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[4-(phenylsulfonyl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-besylbutanoylamino)-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S2/c1-2-29-21(26)20-19(16-10-5-3-6-11-16)24-22(30-20)23-18(25)14-9-15-31(27,28)17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H,23,24,25)