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

Systemtic Name: methyl 4-[2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H21N3O4S2/c1-15-12-21(26-23(24-15)32-13-19(27)16-6-4-3-5-7-16)31-14-20(28)25-18-10-8-17(9-11-18)22(29)30-2/h3-12H,13-14H2,1-2H3,(H,25,28)