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

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloranylbenzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chlorobenzoate Traditional Name: 2-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=C(C(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)Cl

Isomeric SMILES

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

InChI

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