ethyl 4-(4-fluorophenyl)-2-[3-(furan-2-ylmethylamino)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[3-(furan-2-ylmethylamino)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[3-(2-furylmethylamino)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[3-(2-furanylmethylamino)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[3-(furan-2-ylmethylamino)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[3-(2-furfurylamino)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CCNCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CCNCC3=CC=CO3

InChI

InChI=1S/C21H21FN2O4S/c1-2-27-21(26)19-17(14-5-7-15(22)8-6-14)13-29-20(19)24-18(25)9-10-23-12-16-4-3-11-28-16/h3-8,11,13,23H,2,9-10,12H2,1H3,(H,24,25)