methyl 3-[2,5-bis(chloranyl)thiophen-3-yl]-5-(2-piperidin-1-ylethylcarbamoyl)benzoate

Systemtic Name: methyl 3-[2,5-bis(chloranyl)thiophen-3-yl]-5-(2-piperidin-1-ylethylcarbamoyl)benzoate Openeye Name: methyl 3-(2,5-dichloro-3-thienyl)-5-[2-(1-piperidyl)ethylcarbamoyl]benzoate CAS Name: 3-(2,5-dichloro-3-thiophenyl)-5-[oxo-[2-(1-piperidinyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,5-dichlorothiophen-3-yl)-5-(2-piperidin-1-ylethylcarbamoyl)benzoate Traditional Name: 3-(2,5-dichloro-3-thienyl)-5-(2-piperidinoethylcarbamoyl)benzoic acid methyl ester Formula: C20H22Cl2N2O3S MolecularWeight: 441.37128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCCCC2)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCCCC2)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O3S/c1-27-20(26)15-10-13(16-12-17(21)28-18(16)22)9-14(11-15)19(25)23-5-8-24-6-3-2-4-7-24/h9-12H,2-8H2,1H3,(H,23,25)