4-[[2-chloranyl-6-ethoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-chloranyl-6-ethoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-chloro-6-ethoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-chloro-6-ethoxy-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-chloro-6-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-chloro-6-ethoxy-4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C20H16ClNO5S2 MolecularWeight: 449.92774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)S2)Cl)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)S2)Cl)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H16ClNO5S2/c1-2-26-15-8-12(9-16-18(23)22-20(28)29-16)7-14(21)17(15)27-10-11-3-5-13(6-4-11)19(24)25/h3-9H,2,10H2,1H3,(H,24,25)(H,22,23,28)