1-[(5-bromanylthiophen-2-yl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-methyl-2-thienyl)methyl]isonipecotic acid Formula: C16H18BrNO2S2 MolecularWeight: 400.35362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H18BrNO2S2/c1-10-6-9-21-15(10)14(12-2-3-13(17)22-12)18-7-4-11(5-8-18)16(19)20/h2-3,6,9,11,14H,4-5,7-8H2,1H3,(H,19,20)