ethyl 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]amino]-4-[(methoxycarbonylamino)-oxomethyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate Traditional Name: 4-(carbomethoxycarbamoyl)-5-[4-(4-fluorophenyl)sulfonylbutanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H23FN2O8S2 MolecularWeight: 514.544323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O8S2/c1-4-32-20(27)17-12(2)16(18(26)24-21(28)31-3)19(33-17)23-15(25)6-5-11-34(29,30)14-9-7-13(22)8-10-14/h7-10H,4-6,11H2,1-3H3,(H,23,25)(H,24,26,28)