[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H13ClN2O5S/c1-24-15-4-3-11(19)7-13(15)17(23)26-16-9-25-12(8-14(16)22)10-27-18-20-5-2-6-21-18/h2-9H,10H2,1H3