(7-methoxynaphthalen-2-yl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (7-methoxynaphthalen-2-yl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (7-methoxy-2-naphthyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (7-methoxy-2-naphthalenyl) ester IUPAC Name: (7-methoxynaphthalen-2-yl) 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (7-methoxy-2-naphthyl) ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=CC3=C(C=CC(=C3)OC)C=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=CC3=C(C=CC(=C3)OC)C=C2

InChI

InChI=1S/C21H22N2O3S/c1-13-19(14(2)23-21(22-13)27-4)9-10-20(24)26-18-8-6-15-5-7-17(25-3)11-16(15)12-18/h5-8,11-12H,9-10H2,1-4H3