diethyl 3-methyl-5-[2-[methyl-(phenylmethyl)amino]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[methyl-(phenylmethyl)amino]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[benzyl(methyl)amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[methyl-(phenylmethyl)amino]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[benzyl(methyl)amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[benzyl(methyl)amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN(C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN(C)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-5-27-20(25)17-14(3)18(21(26)28-6-2)29-19(17)22-16(24)13-23(4)12-15-10-8-7-9-11-15/h7-11H,5-6,12-13H2,1-4H3,(H,22,24)