[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)Cl)C

InChI

InChI=1S/C17H17ClN2O4S/c1-10-6-11(2)20-17(19-10)25-9-16(22)24-8-14(21)12-4-5-15(23-3)13(18)7-12/h4-7H,8-9H2,1-3H3