2-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(4-methoxyanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methylthio]acetic acid IUPAC Name: 2-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylthio]acetic acid Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S2/c1-20-9-4-2-8(3-5-9)14-12(19)13-16-15-10(22-13)6-21-7-11(17)18/h2-5H,6-7H2,1H3,(H,14,19)(H,17,18)