methyl 2-[2-oxidanylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-oxidanylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]acetic acid methyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)NC1=NN=C(S1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CSCC(=O)NC1=NN=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S2/c1-19-11(18)8-20-7-10(17)14-13-16-15-12(21-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,16,17)