ethyl 3-oxidanylidene-4-(4-pyridin-3-ylpyrimidin-2-yl)sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-(4-pyridin-3-ylpyrimidin-2-yl)sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-[4-(3-pyridyl)pyrimidin-2-yl]sulfanyl-butanoate CAS Name: 3-oxo-4-[[4-(3-pyridinyl)-2-pyrimidinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylbutanoate Traditional Name: 3-keto-4-[[4-(3-pyridyl)pyrimidin-2-yl]thio]butyric acid ethyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC=CC(=N1)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC=CC(=N1)C2=CN=CC=C2

InChI

InChI=1S/C15H15N3O3S/c1-2-21-14(20)8-12(19)10-22-15-17-7-5-13(18-15)11-4-3-6-16-9-11/h3-7,9H,2,8,10H2,1H3