ethyl 4-[[5-(8-ethoxy-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-(8-ethoxy-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(8-ethoxy-2-oxo-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate CAS Name: 4-[[5-(8-ethoxy-2-oxo-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(8-ethoxy-2-oxochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Traditional Name: 4-[[5-(8-ethoxy-2-keto-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(S3)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(S3)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C22H19N3O5S/c1-3-28-17-7-5-6-14-12-16(21(27)30-18(14)17)19-24-25-22(31-19)23-15-10-8-13(9-11-15)20(26)29-4-2/h5-12H,3-4H2,1-2H3,(H,23,25)