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

Systemtic Name: dimethyl 3-methyl-5-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[benzyl(isopropyl)amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[benzyl(isopropyl)amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN(CC2=CC=CC=C2)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN(CC2=CC=CC=C2)C(C)C)C(=O)OC

InChI

InChI=1S/C21H26N2O5S/c1-13(2)23(11-15-9-7-6-8-10-15)12-16(24)22-19-17(20(25)27-4)14(3)18(29-19)21(26)28-5/h6-10,13H,11-12H2,1-5H3,(H,22,24)