ethyl (3S)-3-cyano-2-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)propanoate

Systemtic Name: ethyl (3S)-3-cyano-2-oxidanylidene-3-(5-phenyl-1,3,4-thiadiazol-2-yl)propanoate Openeye Name: ethyl (3S)-3-cyano-2-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)propanoate CAS Name: (3S)-3-cyano-2-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-cyano-2-oxo-3-(5-phenyl-1,3,4-thiadiazol-2-yl)propanoate Traditional Name: (3S)-3-cyano-2-keto-3-(5-phenyl-1,3,4-thiadiazol-2-yl)propionic acid ethyl ester Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(C#N)C1=NN=C(S1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(=O)[C@H](C#N)C1=NN=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C14H11N3O3S/c1-2-20-14(19)11(18)10(8-15)13-17-16-12(21-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3/t10-/m0/s1