methyl 2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-2-oxidanylidene-ethanoate Openeye Name: methyl 2-(3-methyl-2-phenylsulfanyl-imidazol-4-yl)-2-oxo-acetate CAS Name: 2-[3-methyl-2-(phenylthio)-4-imidazolyl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-(3-methyl-2-phenylsulfanylimidazol-4-yl)-2-oxoacetate Traditional Name: 2-keto-2-[3-methyl-2-(phenylthio)imidazol-4-yl]acetic acid methyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=CC=CC=C2)C(=O)C(=O)OC

Isomeric SMILES

CN1C(=CN=C1SC2=CC=CC=C2)C(=O)C(=O)OC

InChI

InChI=1S/C13H12N2O3S/c1-15-10(11(16)12(17)18-2)8-14-13(15)19-9-6-4-3-5-7-9/h3-8H,1-2H3