ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[4-[(4-fluorophenyl)thio]-1-oxobutyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)thio]butanoylamino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCSC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCSC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H21FN2O3S2/c1-2-28-21(27)20-19(15-7-4-3-5-8-15)25-22(30-20)24-18(26)9-6-14-29-17-12-10-16(23)11-13-17/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H,24,25,26)