O4-ethyl O2-methyl 3-methyl-5-[[2,2,2-tris(chloranyl)-1-(2-phenylethanoylamino)ethyl]amino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-[[2,2,2-tris(chloranyl)-1-(2-phenylethanoylamino)ethyl]amino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 3-methyl-5-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2,2,2-trichloro-1-[(1-oxo-2-phenylethyl)amino]ethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C20H21Cl3N2O5S MolecularWeight: 507.81514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H21Cl3N2O5S/c1-4-30-17(27)14-11(2)15(18(28)29-3)31-16(14)25-19(20(21,22)23)24-13(26)10-12-8-6-5-7-9-12/h5-9,19,25H,4,10H2,1-3H3,(H,24,26)