4-[2,5-dimethyl-3-[(4-oxidanylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2,5-dimethyl-3-[(4-oxidanylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2,5-dimethyl-3-[(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2,5-dimethyl-3-[(4-oxo-3-propyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2,5-dimethyl-3-[(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)SC1=S

Isomeric SMILES

CCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)SC1=S

InChI

InChI=1S/C20H20N2O3S2/c1-4-9-21-18(23)17(27-20(21)26)11-15-10-12(2)22(13(15)3)16-7-5-14(6-8-16)19(24)25/h5-8,10-11H,4,9H2,1-3H3,(H,24,25)