4-{5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazole-2-amido}benzoic acid

CAS: 1142209-78-6

Formula: C18H15N3O4S

SMILES: COC1=CC=CC(CC2=NN=C(S2)C(=O)NC2=CC=C(C=C2)C(O)=O)=C1

IUPAC: 4-{5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazole-2-amido}benzoic acid

InChI: InChI=1S/C18H15N3O4S/c1-25-14-4-2-3-11(9-14)10-15-20-21-17(26-15)16(22)19-13-7-5-12(6-8-13)18(23)24/h2-9H,10H2,1H3,(H,19,22)(H,23,24)

Composition: C (58.53%), H (4.09%), N (11.38%), O (17.32%), S (8.68%)

Molar Mass: 369.4

Atom Count: 41

Heavy Atom Count: 26