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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(4-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-[4-(methylthio)phenyl]methyl]isonipecotic acid Formula: C19H23NO2S2 MolecularWeight: 361.52142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2S2/c1-13-11-17(24-12-13)18(14-3-5-16(23-2)6-4-14)20-9-7-15(8-10-20)19(21)22/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,21,22)