1-[(5-bromanylthiophen-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-[4-(methylthio)phenyl]methyl]isonipecotic acid Formula: C18H20BrNO2S2 MolecularWeight: 426.3909

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20BrNO2S2/c1-23-14-4-2-12(3-5-14)17(15-6-7-16(19)24-15)20-10-8-13(9-11-20)18(21)22/h2-7,13,17H,8-11H2,1H3,(H,21,22)