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

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H22N2O4S2/c1-27-18-7-5-16(6-8-18)23-22-24-17(14-30-22)13-28-21(26)12-11-20(25)15-3-9-19(29-2)10-4-15/h3-10,14H,11-13H2,1-2H3,(H,23,24)