2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-4-keto-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C26H20N4O6S6 MolecularWeight: 676.8502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC(=O)O.CN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC(=O)O

Isomeric SMILES

CN1/C(=C/2\SC(=S)N(C2=O)CC(=O)O)/SC3=CC=CC=C13.CN1/C(=C/2\SC(=S)N(C2=O)CC(=O)O)/SC3=CC=CC=C13

InChI

InChI=1S/2C13H10N2O3S3/c2*1-14-7-4-2-3-5-8(7)20-12(14)10-11(18)15(6-9(16)17)13(19)21-10/h2*2-5H,6H2,1H3,(H,16,17)/b2*12-10+