ethyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N1)SCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N1)SCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-2-20-13(19)11-7-16-14(17-11)21-8-12(18)9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,17)