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

Systemtic Name: ethyl 2-[2-(furan-2-ylmethylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2-furylmethylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-furanylmethylamino)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(furan-2-ylmethylamino)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(2-furfurylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)NCC3=CC=CO3

InChI

InChI=1S/C21H22N2O4S/c1-3-26-21(25)18-17(15-8-5-4-6-9-15)13-28-20(18)23-19(24)14(2)22-12-16-10-7-11-27-16/h4-11,13-14,22H,3,12H2,1-2H3,(H,23,24)