2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C18H15N3O5S MolecularWeight: 385.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C18H15N3O5S/c1-25-13-8-7-10(9-14(13)26-2)16-20-21-18(27-16)19-15(22)11-5-3-4-6-12(11)17(23)24/h3-9H,1-2H3,(H,23,24)(H,19,21,22)