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

Systemtic Name: methyl 3-[2,5-bis(chloranyl)thiophen-3-yl]-5-(2-pyrrolidin-1-ylethylcarbamoyl)benzoate Openeye Name: methyl 3-(2,5-dichloro-3-thienyl)-5-(2-pyrrolidin-1-ylethylcarbamoyl)benzoate CAS Name: 3-(2,5-dichloro-3-thiophenyl)-5-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,5-dichlorothiophen-3-yl)-5-(2-pyrrolidin-1-ylethylcarbamoyl)benzoate Traditional Name: 3-(2,5-dichloro-3-thienyl)-5-(2-pyrrolidinoethylcarbamoyl)benzoic acid methyl ester Formula: C19H20Cl2N2O3S MolecularWeight: 427.3447

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCCC2)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCCC2)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O3S/c1-26-19(25)14-9-12(15-11-16(20)27-17(15)21)8-13(10-14)18(24)22-4-7-23-5-2-3-6-23/h8-11H,2-7H2,1H3,(H,22,24)