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

Systemtic Name: ethyl 4-(ethoxycarbonylcarbamoyl)-5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-(ethoxycarbonylcarbamoyl)-5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-[(ethoxycarbonylamino)-oxomethyl]-5-[[4-[(4-fluorophenyl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethoxycarbonylcarbamoyl)-5-[4-(4-fluorophenyl)sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-(carbethoxycarbamoyl)-5-[4-[(4-fluorophenyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H25FN2O6S2 MolecularWeight: 496.572103

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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(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O6S2/c1-4-30-21(28)18-13(3)17(19(27)25-22(29)31-5-2)20(33-18)24-16(26)7-6-12-32-15-10-8-14(23)9-11-15/h8-11H,4-7,12H2,1-3H3,(H,24,26)(H,25,27,29)