ethyl 4-[[5-(7-methoxy-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-(7-methoxy-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(7-methoxy-2-oxo-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate CAS Name: 4-[[5-(7-methoxy-2-oxo-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(7-methoxy-2-oxochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Traditional Name: 4-[[5-(2-keto-7-methoxy-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=C(C=C4)OC)OC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=C(C=C4)OC)OC3=O

InChI

InChI=1S/C21H17N3O5S/c1-3-28-19(25)12-4-7-14(8-5-12)22-21-24-23-18(30-21)16-10-13-6-9-15(27-2)11-17(13)29-20(16)26/h4-11H,3H2,1-2H3,(H,22,24)