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

Systemtic Name: diethyl 5-[2-[ethyl-(phenylmethyl)amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[benzyl(ethyl)amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[ethyl-(phenylmethyl)amino]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[benzyl(ethyl)amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[benzyl(ethyl)amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCN(CC1=CC=CC=C1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C22H28N2O5S/c1-5-24(13-16-11-9-8-10-12-16)14-17(25)23-20-18(21(26)28-6-2)15(4)19(30-20)22(27)29-7-3/h8-12H,5-7,13-14H2,1-4H3,(H,23,25)