diethyl 5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-[(4-fluorophenyl)thio]-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[(4-fluorophenyl)thio]butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24FNO5S2 MolecularWeight: 453.547363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO5S2/c1-4-27-20(25)17-13(3)18(21(26)28-5-2)30-19(17)23-16(24)7-6-12-29-15-10-8-14(22)9-11-15/h8-11H,4-7,12H2,1-3H3,(H,23,24)