methyl 3-[2,5-bis(chloranyl)thiophen-3-yl]-5-(4-methylpiperazin-1-yl)carbonyl-benzoate

Systemtic Name: methyl 3-[2,5-bis(chloranyl)thiophen-3-yl]-5-(4-methylpiperazin-1-yl)carbonyl-benzoate Openeye Name: methyl 3-(2,5-dichloro-3-thienyl)-5-(4-methylpiperazine-1-carbonyl)benzoate CAS Name: 3-(2,5-dichloro-3-thiophenyl)-5-[(4-methyl-1-piperazinyl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,5-dichlorothiophen-3-yl)-5-(4-methylpiperazine-1-carbonyl)benzoate Traditional Name: 3-(2,5-dichloro-3-thienyl)-5-(4-methylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C18H18Cl2N2O3S MolecularWeight: 413.31812

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)C3=C(SC(=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)C3=C(SC(=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C18H18Cl2N2O3S/c1-21-3-5-22(6-4-21)17(23)12-7-11(8-13(9-12)18(24)25-2)14-10-15(19)26-16(14)20/h7-10H,3-6H2,1-2H3