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

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCSC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O3S2/c1-2-27-20(26)19-18(14-6-4-3-5-7-14)24-21(29-19)23-17(25)12-13-28-16-10-8-15(22)9-11-16/h3-11H,2,12-13H2,1H3,(H,23,24,25)