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(3E)-2-oxidanylidene-3-(5-phenethyl-3H-1,3,4-thiadiazol-2-ylidene)propanoic acid

(3E)-2-oxidanylidene-3-(5-phenethyl-3H-1,3,4-thiadiazol-2-ylidene)propanoic acid

Systemtic Name:(3E)-2-oxidanylidene-3-(5-phenethyl-3H-1,3,4-thiadiazol-2-ylidene)propanoic acid
Openeye Name:(3E)-2-oxo-3-(5-phenethyl-3H-1,3,4-thiadiazol-2-ylidene)propanoic acid
CAS Name:(3E)-2-oxo-3-(5-phenethyl-3H-1,3,4-thiadiazol-2-ylidene)propanoic acid
IUPAC Name:(3E)-2-oxo-3-(5-phenethyl-3H-1,3,4-thiadiazol-2-ylidene)propanoic acid
Traditional Name:(3E)-2-keto-3-(5-phenethyl-3H-1,3,4-thiadiazol-2-ylidene)propionic acid
Formula: C13H12N2O3S
MolecularWeight: 276.31098
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NNC(=CC(=O)C(=O)O)S2


Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN/C(=C\C(=O)C(=O)O)/S2


InChI

InChI=1S/C13H12N2O3S/c16-10(13(17)18)8-12-15-14-11(19-12)7-6-9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,17,18)/b12-8+


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