methyl 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylthiophene-2-carboxylate

Systemtic Name: methyl 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonylthiophene-2-carboxylate Openeye Name: methyl 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]thiophene-2-carboxylate CAS Name: 5-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]thiophene-2-carboxylate Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]thiophene-2-carboxylic acid methyl ester Formula: C18H18ClFN2O3S MolecularWeight: 396.863523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=CC=C(S1)C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H18ClFN2O3S/c1-25-18(24)16-6-5-15(26-16)17(23)22-9-7-21(8-10-22)11-12-13(19)3-2-4-14(12)20/h2-6H,7-11H2,1H3