methyl 3-[2,5-bis(chloranyl)thiophen-3-yl]-5-(2-dimethylaminoethylcarbamoyl)benzoate

Systemtic Name: methyl 3-[2,5-bis(chloranyl)thiophen-3-yl]-5-(2-dimethylaminoethylcarbamoyl)benzoate Openeye Name: methyl 3-(2,5-dichloro-3-thienyl)-5-(2-dimethylaminoethylcarbamoyl)benzoate CAS Name: 3-(2,5-dichloro-3-thiophenyl)-5-[(2-dimethylaminoethylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,5-dichlorothiophen-3-yl)-5-(2-dimethylaminoethylcarbamoyl)benzoate Traditional Name: 3-(2,5-dichloro-3-thienyl)-5-(2-dimethylaminoethylcarbamoyl)benzoic acid methyl ester Formula: C17H18Cl2N2O3S MolecularWeight: 401.30742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(SC(=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(SC(=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C17H18Cl2N2O3S/c1-21(2)5-4-20-16(22)11-6-10(7-12(8-11)17(23)24-3)13-9-14(18)25-15(13)19/h6-9H,4-5H2,1-3H3,(H,20,22)