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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C18H20ClNO2S2 MolecularWeight: 381.9399

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H20ClNO2S2/c1-23-13-7-5-12(6-8-13)17(15-9-10-16(19)24-15)20-11-3-2-4-14(20)18(21)22/h5-10,14,17H,2-4,11H2,1H3,(H,21,22)