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

Systemtic Name: methyl 2-[6-ethyl-4-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyethanoate Openeye Name: methyl 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetate CAS Name: 2-[[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-benzopyran-7-yl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethyl-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetate Traditional Name: 2-[6-ethyl-4-keto-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-7-yl]oxyacetic acid methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-3-13-9-15-18(10-17(13)29-12-19(25)27-2)28-11-16(20(15)26)22-24-23-21(30-22)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3