3-[[4-[(E)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-2-chloranyl-phenoxy]methyl]benzoate

Systemtic Name: 3-[[4-[(E)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-2-chloranyl-phenoxy]methyl]benzoate Openeye Name: 3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-5-thiazolidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[2-chloro-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 3-[[2-chloro-4-[(E)-(2,4-diketo-3-propargyl-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoate Formula: C21H13ClNO5S- MolecularWeight: 426.84962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])Cl)SC1=O

Isomeric SMILES

C#CCN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])Cl)/SC1=O

InChI

InChI=1S/C21H14ClNO5S/c1-2-8-23-19(24)18(29-21(23)27)11-13-6-7-17(16(22)10-13)28-12-14-4-3-5-15(9-14)20(25)26/h1,3-7,9-11H,8,12H2,(H,25,26)/p-1/b18-11+