2-(4-sulfamoylphenoxy)ethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCCOC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCCOC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H23N3O5S2/c1-12-16(13(2)21-18(20-12)27-3)8-9-17(22)26-11-10-25-14-4-6-15(7-5-14)28(19,23)24/h4-7H,8-11H2,1-3H3,(H2,19,23,24)