3-(5-methyl-2-oxidanylidene-4-phenyl-1,3-thiazol-3-yl)propanoate

Systemtic Name: 3-(5-methyl-2-oxidanylidene-4-phenyl-1,3-thiazol-3-yl)propanoate Openeye Name: 3-(5-methyl-2-oxo-4-phenyl-thiazol-3-yl)propanoate CAS Name: 3-(5-methyl-2-oxo-4-phenyl-3-thiazolyl)propanoate IUPAC Name: 3-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)propanoate Traditional Name: 3-(2-keto-5-methyl-4-phenyl-4-thiazolin-3-yl)propionate Formula: C13H12NO3S- MolecularWeight: 262.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)S1)CCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=C(N(C(=O)S1)CCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H13NO3S/c1-9-12(10-5-3-2-4-6-10)14(13(17)18-9)8-7-11(15)16/h2-6H,7-8H2,1H3,(H,15,16)/p-1