ethyl 4-[2-[6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-methyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyrimidin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-methyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-methyl-pyrimidin-4-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H25N3O4S2/c1-4-32-24(31)19-9-11-20(12-10-19)27-22(30)15-33-23-13-17(3)26-25(28-23)34-14-21(29)18-7-5-16(2)6-8-18/h5-13H,4,14-15H2,1-3H3,(H,27,30)