5-[(5E)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate

Systemtic Name: 5-[(5E)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Openeye Name: 5-[(5E)-4-oxo-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]pentanoate CAS Name: 5-[(5E)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-3-thiazolidinyl]pentanoate IUPAC Name: 5-[(5E)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Traditional Name: 5-[(5E)-4-keto-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]valerate Formula: C14H13N2O3S2- MolecularWeight: 321.39462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C=C2C(=O)N(C(=S)S2)CCCCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCCCC(=O)[O-]

InChI

InChI=1S/C14H14N2O3S2/c17-12(18)3-1-2-8-16-13(19)11(21-14(16)20)9-10-4-6-15-7-5-10/h4-7,9H,1-3,8H2,(H,17,18)/p-1/b11-9+