ethyl 2-(furan-2-ylcarbonylamino)-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(furan-2-ylcarbonylamino)-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate Openeye Name: ethyl 5-(benzylcarbamoyl)-2-(furan-2-carbonylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-2-(2-furoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H20N2O5S/c1-3-27-21(26)16-13(2)17(19(25)22-12-14-8-5-4-6-9-14)29-20(16)23-18(24)15-10-7-11-28-15/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,24)