ethyl 4-[[5-(2-oxidanylidenechromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-(2-oxidanylidenechromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(2-oxochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate CAS Name: 4-[[5-(2-oxo-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2-oxochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Traditional Name: 4-[[5-(2-ketochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H15N3O4S/c1-2-26-18(24)12-7-9-14(10-8-12)21-20-23-22-17(28-20)15-11-13-5-3-4-6-16(13)27-19(15)25/h3-11H,2H2,1H3,(H,21,23)