1-[4-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]carbonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]carbonylpiperidine-2-carboxylic acid Openeye Name: 1-[4-[(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzoyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-[(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-[(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)methyl]benzoyl]pipecolinic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)N3CCCCC3C(=O)O)SC1=S

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)N3CCCCC3C(=O)O)SC1=S

InChI

InChI=1S/C18H18N2O4S2/c1-19-16(22)14(26-18(19)25)10-11-5-7-12(8-6-11)15(21)20-9-3-2-4-13(20)17(23)24/h5-8,10,13H,2-4,9H2,1H3,(H,23,24)