[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-methoxy-phenyl] ester Formula: C12H13N3O3S2 MolecularWeight: 311.37992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CSC2=NN=C(S2)N)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CSC2=NN=C(S2)N)OC

InChI

InChI=1S/C12H13N3O3S2/c1-7(16)18-9-4-3-8(5-10(9)17-2)6-19-12-15-14-11(13)20-12/h3-5H,6H2,1-2H3,(H2,13,14)