(2-phenyl-1,3-thiazol-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO3S2/c1-26-18-9-7-15(8-10-18)19(23)11-12-20(24)25-13-17-14-27-21(22-17)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3