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

Systemtic Name: 4-[[5-(8-ethoxy-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[5-(8-ethoxy-2-oxo-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid CAS Name: 4-[[5-(8-ethoxy-2-oxo-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-(8-ethoxy-2-oxochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[5-(8-ethoxy-2-keto-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid Formula: C20H15N3O5S MolecularWeight: 409.4152

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O5S/c1-2-27-15-5-3-4-12-10-14(19(26)28-16(12)15)17-22-23-20(29-17)21-13-8-6-11(7-9-13)18(24)25/h3-10H,2H2,1H3,(H,21,23)(H,24,25)