4-[2-methanoylimino-5-(4-methoxyphenyl)-1,3,4-thiadiazol-3-yl]butanoic acid

Systemtic Name: 4-[2-methanoylimino-5-(4-methoxyphenyl)-1,3,4-thiadiazol-3-yl]butanoic acid Openeye Name: 4-[2-formylimino-5-(4-methoxyphenyl)-1,3,4-thiadiazol-3-yl]butanoic acid CAS Name: 4-[2-formylimino-5-(4-methoxyphenyl)-1,3,4-thiadiazol-3-yl]butanoic acid IUPAC Name: 4-[2-formylimino-5-(4-methoxyphenyl)-1,3,4-thiadiazol-3-yl]butanoic acid Traditional Name: 4-[2-formylimino-5-(4-methoxyphenyl)-1,3,4-thiadiazol-3-yl]butyric acid Formula: C14H15N3O4S MolecularWeight: 321.3516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=NC=O)S2)CCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=NC=O)S2)CCCC(=O)O

InChI

InChI=1S/C14H15N3O4S/c1-21-11-6-4-10(5-7-11)13-16-17(8-2-3-12(19)20)14(22-13)15-9-18/h4-7,9H,2-3,8H2,1H3,(H,19,20)