[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-chloranylbenzoate

Systemtic Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-chloranylbenzoate Openeye Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H13ClN2O4S/c1-20-7-6-19-17(20)25-10-11-8-14(21)15(9-23-11)24-16(22)12-4-2-3-5-13(12)18/h2-9H,10H2,1H3