ethyl 2-[6-[[(S)-phenylsulfinyl]methyl]-2-pyridin-3-yl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-[[(S)-phenylsulfinyl]methyl]-2-pyridin-3-yl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-[[(S)-phenylsulfinyl]methyl]-2-(3-pyridyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-[[(S)-phenylsulfinyl]methyl]-2-(3-pyridinyl)-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[[(S)-phenylsulfinyl]methyl]-2-pyridin-3-ylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-[[(S)-phenylsulfinyl]methyl]-2-(3-pyridyl)pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1)C[S@](=O)C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H19N3O3S2/c1-2-26-19(24)13-27-18-11-16(14-28(25)17-8-4-3-5-9-17)22-20(23-18)15-7-6-10-21-12-15/h3-12H,2,13-14H2,1H3/t28-/m0/s1