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

Systemtic Name: 3-[6-ethyl-7-oxidanyl-4-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-2-yl]propanoate Openeye Name: 3-[6-ethyl-7-hydroxy-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-2-yl]propanoate CAS Name: 3-[6-ethyl-7-hydroxy-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-benzopyran-2-yl]propanoate IUPAC Name: 3-[6-ethyl-7-hydroxy-4-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-2-yl]propanoate Traditional Name: 3-[6-ethyl-7-hydroxy-4-keto-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-2-yl]propionate Formula: C22H17N2O5S- MolecularWeight: 421.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)[O-])C3=NN=C(S3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)[O-])C3=NN=C(S3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H18N2O5S/c1-2-12-10-14-17(11-15(12)25)29-16(8-9-18(26)27)19(20(14)28)22-24-23-21(30-22)13-6-4-3-5-7-13/h3-7,10-11,25H,2,8-9H2,1H3,(H,26,27)/p-1