3-[4-(4-cyanophenyl)-2-oxidanylidene-1,3-thiazol-3-yl]propanoic acid

Systemtic Name: 3-[4-(4-cyanophenyl)-2-oxidanylidene-1,3-thiazol-3-yl]propanoic acid Openeye Name: 3-[4-(4-cyanophenyl)-2-oxo-thiazol-3-yl]propanoic acid CAS Name: 3-[4-(4-cyanophenyl)-2-oxo-3-thiazolyl]propanoic acid IUPAC Name: 3-[4-(4-cyanophenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid Traditional Name: 3-[4-(4-cyanophenyl)-2-keto-4-thiazolin-3-yl]propionic acid Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CSC(=O)N2CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CSC(=O)N2CCC(=O)O

InChI

InChI=1S/C13H10N2O3S/c14-7-9-1-3-10(4-2-9)11-8-19-13(18)15(11)6-5-12(16)17/h1-4,8H,5-6H2,(H,16,17)