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

Systemtic Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-methylbenzoate Openeye Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=COC(=CC2=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=COC(=CC2=O)CSC3=NC=CN3C

InChI

InChI=1S/C18H16N2O4S/c1-12-5-3-4-6-14(12)17(22)24-16-10-23-13(9-15(16)21)11-25-18-19-7-8-20(18)2/h3-10H,11H2,1-2H3