[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-chloranylbenzoate

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-chloranylbenzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C17H11ClN2O4S MolecularWeight: 374.79824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H11ClN2O4S/c18-12-4-1-3-11(7-12)16(22)24-15-9-23-13(8-14(15)21)10-25-17-19-5-2-6-20-17/h1-9H,10H2