methyl 1-[4,5-bis(bromanyl)thiophen-2-yl]carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[4,5-bis(bromanyl)thiophen-2-yl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(4,5-dibromothiophene-2-carbonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(4,5-dibromo-2-thiophenyl)-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4,5-dibromothiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(4,5-dibromothiophene-2-carbonyl)-4-phenyl-isonipecotic acid methyl ester Formula: C18H17Br2NO3S MolecularWeight: 487.20548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=C(S2)Br)Br)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=C(S2)Br)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H17Br2NO3S/c1-24-17(23)18(12-5-3-2-4-6-12)7-9-21(10-8-18)16(22)14-11-13(19)15(20)25-14/h2-6,11H,7-10H2,1H3