methyl 4-[[2-[(4-methoxycarbonylphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-methoxycarbonylphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-[(4-methoxycarbonylphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-[(4-methoxycarbonylphenyl)methylthio]-6-methyl-4-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methoxycarbonylphenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-[(4-carbomethoxybenzyl)thio]-6-methyl-pyrimidin-4-yl]thio]methyl]benzoic acid methyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O4S2/c1-15-12-20(30-13-16-4-8-18(9-5-16)21(26)28-2)25-23(24-15)31-14-17-6-10-19(11-7-17)22(27)29-3/h4-12H,13-14H2,1-3H3