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

Systemtic Name: 3-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinoline-4-carboxylic acid Openeye Name: 3-[(E)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]quinoline-4-carboxylic acid CAS Name: 3-[(E)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-4-quinolinecarboxylic acid IUPAC Name: 3-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]quinoline-4-carboxylic acid Traditional Name: 3-[(E)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]cinchoninic acid Formula: C14H8N2O3S2 MolecularWeight: 316.35492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)C=C3C(=O)NC(=S)S3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)/C=C/3\C(=O)NC(=S)S3)C(=O)O

InChI

InChI=1S/C14H8N2O3S2/c17-12-10(21-14(20)16-12)5-7-6-15-9-4-2-1-3-8(9)11(7)13(18)19/h1-6H,(H,18,19)(H,16,17,20)/b10-5+