2-[5-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methyl-butanoic acid

Systemtic Name: 2-[5-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methyl-butanoic acid Openeye Name: 2-[5-(5-bromo-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-3-methyl-butanoic acid CAS Name: 2-[5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid IUPAC Name: 2-[5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid Traditional Name: 2-[5-(5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-3-methyl-butyric acid Formula: C16H13BrN2O4S2 MolecularWeight: 441.31942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=O)C(=C2C3=C(C=CC(=C3)Br)NC2=O)SC1=S

Isomeric SMILES

CC(C)C(C(=O)O)N1C(=O)C(=C2C3=C(C=CC(=C3)Br)NC2=O)SC1=S

InChI

InChI=1S/C16H13BrN2O4S2/c1-6(2)11(15(22)23)19-14(21)12(25-16(19)24)10-8-5-7(17)3-4-9(8)18-13(10)20/h3-6,11H,1-2H3,(H,18,20)(H,22,23)