2-[6-ethyl-4-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyethanoic acid

Systemtic Name: 2-[6-ethyl-4-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyethanoic acid Openeye Name: 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic acid CAS Name: 2-[[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-benzopyran-7-yl]oxy]acetic acid IUPAC Name: 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic acid Traditional Name: 2-[6-ethyl-4-keto-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NN=C(S3)C4=CC=CC=C4)OCC(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NN=C(S3)C4=CC=CC=C4)OCC(=O)O

InChI

InChI=1S/C21H16N2O5S/c1-2-12-8-14-17(9-16(12)28-11-18(24)25)27-10-15(19(14)26)21-23-22-20(29-21)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,24,25)