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

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[(4-fluorophenyl)thio]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)thio]butanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H19FN2O3S2 MolecularWeight: 382.472763

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN2O3S2/c1-3-23-16(22)15-11(2)19-17(25-15)20-14(21)5-4-10-24-13-8-6-12(18)7-9-13/h6-9H,3-5,10H2,1-2H3,(H,19,20,21)