1-[2-[5-[(1-methylindol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[5-[(1-methylindol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[5-[(1-methylindol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[5-[(1-methyl-3-indolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-[(1-methylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-keto-5-[(1-methylindol-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]acetyl]isonipecotic acid Formula: C21H21N3O4S2 MolecularWeight: 443.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=S)S3)CC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=S)S3)CC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H21N3O4S2/c1-22-11-14(15-4-2-3-5-16(15)22)10-17-19(26)24(21(29)30-17)12-18(25)23-8-6-13(7-9-23)20(27)28/h2-5,10-11,13H,6-9,12H2,1H3,(H,27,28)