dimethyl 2-(3-phenyl-1,2,4-thiadiazol-5-yl)propanedioate

Systemtic Name: dimethyl 2-(3-phenyl-1,2,4-thiadiazol-5-yl)propanedioate Openeye Name: dimethyl 2-(3-phenyl-1,2,4-thiadiazol-5-yl)propanedioate CAS Name: 2-(3-phenyl-1,2,4-thiadiazol-5-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-phenyl-1,2,4-thiadiazol-5-yl)propanedioate Traditional Name: 2-(3-phenyl-1,2,4-thiadiazol-5-yl)malonic acid dimethyl ester Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=NC(=NS1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=NC(=NS1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C13H12N2O4S/c1-18-12(16)9(13(17)19-2)11-14-10(15-20-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3