ethyl 4-[[5-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(6-bromo-2-oxo-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate CAS Name: 4-[[5-(6-bromo-2-oxo-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(6-bromo-2-oxochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Traditional Name: 4-[[5-(6-bromo-2-keto-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester Formula: C20H14BrN3O4S MolecularWeight: 472.31186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O4S/c1-2-27-18(25)11-3-6-14(7-4-11)22-20-24-23-17(29-20)15-10-12-9-13(21)5-8-16(12)28-19(15)26/h3-10H,2H2,1H3,(H,22,24)