[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H22N2O3S2/c1-15-3-7-17(8-4-15)23-22-24-18(14-29-22)13-27-21(26)12-11-20(25)16-5-9-19(28-2)10-6-16/h3-10,14H,11-13H2,1-2H3,(H,23,24)