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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=S)S3)CC(=O)N4CCCCC4C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=S)S3)CC(=O)N4CCCCC4C(=O)O

InChI

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