ethyl 2-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-(1,1-dimethyl-2-oxo-2-phenyl-ethyl)sulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-1-oxo-1-phenylpropan-2-yl)sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-[(2-keto-1,1-dimethyl-2-phenyl-ethyl)thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N1)SC(C)(C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N1)SC(C)(C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-4-21-14(20)12-10-17-15(18-12)22-16(2,3)13(19)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,17,18)