ethyl 4-[(Z)-[2-ethylsulfanyl-1-(4-methylphenyl)-5-oxidanylidene-imidazol-4-ylidene]methyl]benzoate

Systemtic Name: ethyl 4-[(Z)-[2-ethylsulfanyl-1-(4-methylphenyl)-5-oxidanylidene-imidazol-4-ylidene]methyl]benzoate Openeye Name: ethyl 4-[(Z)-[2-ethylsulfanyl-5-oxo-1-(p-tolyl)imidazol-4-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[2-(ethylthio)-1-(4-methylphenyl)-5-oxo-4-imidazolylidene]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-[2-ethylsulfanyl-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[2-(ethylthio)-5-keto-1-(p-tolyl)-2-imidazolin-4-ylidene]methyl]benzoic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)SCC)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22N2O3S/c1-4-27-21(26)17-10-8-16(9-11-17)14-19-20(25)24(22(23-19)28-5-2)18-12-6-15(3)7-13-18/h6-14H,4-5H2,1-3H3/b19-14-