3-[4-(2,5-dimethylphenyl)-2-oxidanylidene-1,3-thiazol-3-yl]propanoic acid

Systemtic Name: 3-[4-(2,5-dimethylphenyl)-2-oxidanylidene-1,3-thiazol-3-yl]propanoic acid Openeye Name: 3-[4-(2,5-dimethylphenyl)-2-oxo-thiazol-3-yl]propanoic acid CAS Name: 3-[4-(2,5-dimethylphenyl)-2-oxo-3-thiazolyl]propanoic acid IUPAC Name: 3-[4-(2,5-dimethylphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid Traditional Name: 3-[4-(2,5-dimethylphenyl)-2-keto-4-thiazolin-3-yl]propionic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=O)N2CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=O)N2CCC(=O)O

InChI

InChI=1S/C14H15NO3S/c1-9-3-4-10(2)11(7-9)12-8-19-14(18)15(12)6-5-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)