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

Systemtic Name: diethyl 5-[[3,5-bis(chloranyl)-4-heptoxy-phenyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3,5-dichloro-4-heptoxy-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3,5-dichloro-4-heptoxyphenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,5-dichloro-4-heptoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3,5-dichloro-4-heptoxy-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H31Cl2NO6S MolecularWeight: 544.48774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Cl

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Cl

InChI

InChI=1S/C25H31Cl2NO6S/c1-5-8-9-10-11-12-34-20-17(26)13-16(14-18(20)27)22(29)28-23-19(24(30)32-6-2)15(4)21(35-23)25(31)33-7-3/h13-14H,5-12H2,1-4H3,(H,28,29)