5-[2-(4-carboxyphenyl)ethyl]-3-ethyl-2-sulfanylidene-piperidine-1-carboxylic acid

Systemtic Name: 5-[2-(4-carboxyphenyl)ethyl]-3-ethyl-2-sulfanylidene-piperidine-1-carboxylic acid Openeye Name: 5-[2-(4-carboxyphenyl)ethyl]-3-ethyl-2-thioxo-piperidine-1-carboxylic acid CAS Name: 5-[2-(4-carboxyphenyl)ethyl]-3-ethyl-2-sulfanylidene-1-piperidinecarboxylic acid IUPAC Name: 5-[2-(4-carboxyphenyl)ethyl]-3-ethyl-2-sulfanylidenepiperidine-1-carboxylic acid Traditional Name: 5-[2-(4-carboxyphenyl)ethyl]-3-ethyl-2-thioxo-piperidine-1-carboxylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN(C1=S)C(=O)O)CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1CC(CN(C1=S)C(=O)O)CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-2-13-9-12(10-18(15(13)23)17(21)22)4-3-11-5-7-14(8-6-11)16(19)20/h5-8,12-13H,2-4,9-10H2,1H3,(H,19,20)(H,21,22)