1,3-benzothiazol-2-ylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N3O2S2/c1-11-13(12(2)20-18(19-11)24-3)8-9-17(22)23-10-16-21-14-6-4-5-7-15(14)25-16/h4-7H,8-10H2,1-3H3