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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C(=O)C(=CC2=CC=NC=C2)SC1=S

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\C2=CC=NC=C2)/SC1=S

InChI

InChI=1S/C14H14N2O3S2/c1-8(2)11(13(18)19)16-12(17)10(21-14(16)20)7-9-3-5-15-6-4-9/h3-8,11H,1-2H3,(H,18,19)/p-1/b10-7+/t11-/m0/s1