methyl 4-[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxy]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H23N3O5S/c1-12-16(13(2)22-20(21-12)29-4)9-10-18(25)28-11-17(24)23-15-7-5-14(6-8-15)19(26)27-3/h5-8H,9-11H2,1-4H3,(H,23,24)