ethyl 4-[2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-methyl-2-(phenacylthio)-4-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-methyl-2-(phenacylthio)pyrimidin-4-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S2/c1-3-31-23(30)18-9-11-19(12-10-18)26-21(29)15-32-22-13-16(2)25-24(27-22)33-14-20(28)17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,26,29)