methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20FNO5S2 MolecularWeight: 413.483503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H20FNO5S2/c1-11-12(2)26-17(16(11)18(22)25-3)20-15(21)5-4-10-27(23,24)14-8-6-13(19)7-9-14/h6-9H,4-5,10H2,1-3H3,(H,20,21)