ethyl 2-[[4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2-furylmethylamino)-4-oxo-butanoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-furanylmethylamino)-1,4-dioxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-furfurylamino)-4-keto-butanoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-2-28-22(27)20-17(15-7-4-3-5-8-15)14-30-21(20)24-19(26)11-10-18(25)23-13-16-9-6-12-29-16/h3-9,12,14H,2,10-11,13H2,1H3,(H,23,25)(H,24,26)