ethyl 6-ethyl-7-oxidanyl-4-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxylate

Systemtic Name: ethyl 6-ethyl-7-oxidanyl-4-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxylate Openeye Name: ethyl 6-ethyl-7-hydroxy-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxylate CAS Name: 6-ethyl-7-hydroxy-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-7-hydroxy-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxylate Traditional Name: 6-ethyl-7-hydroxy-4-keto-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxylic acid ethyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NN=C(S3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NN=C(S3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H18N2O5S/c1-3-12-10-14-16(11-15(12)25)29-19(22(27)28-4-2)17(18(14)26)21-24-23-20(30-21)13-8-6-5-7-9-13/h5-11,25H,3-4H2,1-2H3