3-(2-pyrimidin-2-ylsulfanylethanoyl)chromen-2-one

Systemtic Name: 3-(2-pyrimidin-2-ylsulfanylethanoyl)chromen-2-one Openeye Name: 3-(2-pyrimidin-2-ylsulfanylacetyl)chromen-2-one CAS Name: 3-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1-benzopyran-2-one IUPAC Name: 3-(2-pyrimidin-2-ylsulfanylacetyl)chromen-2-one Traditional Name: 3-[2-(2-pyrimidylthio)acetyl]coumarin Formula: C15H10N2O3S MolecularWeight: 298.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C15H10N2O3S/c18-12(9-21-15-16-6-3-7-17-15)11-8-10-4-1-2-5-13(10)20-14(11)19/h1-8H,9H2