diethyl 5-[[4-butoxy-3,5-bis(chloranyl)phenyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-butoxy-3,5-bis(chloranyl)phenyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-butoxy-3,5-dichloro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-butoxy-3,5-dichlorophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-butoxy-3,5-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-butoxy-3,5-dichloro-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25Cl2NO6S MolecularWeight: 502.408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Cl

InChI

InChI=1S/C22H25Cl2NO6S/c1-5-8-9-31-17-14(23)10-13(11-15(17)24)19(26)25-20-16(21(27)29-6-2)12(4)18(32-20)22(28)30-7-3/h10-11H,5-9H2,1-4H3,(H,25,26)