ethyl 5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate CAS Name: 5-[[4-[(4-fluorophenyl)thio]-1-oxobutyl]amino]-3-methyl-4-(methylcarbamoyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Traditional Name: 5-[4-[(4-fluorophenyl)thio]butanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylic acid ethyl ester Formula: C20H23FN2O4S2 MolecularWeight: 438.536023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S2/c1-4-27-20(26)17-12(2)16(18(25)22-3)19(29-17)23-15(24)6-5-11-28-14-9-7-13(21)8-10-14/h7-10H,4-6,11H2,1-3H3,(H,22,25)(H,23,24)