[(3S)-2-oxidanylideneoxolan-3-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OC3CCOC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)O[C@H]3CCOC3=O)C

InChI

InChI=1S/C18H17NO4S/c1-11-5-6-13(10-12(11)2)24-16-14(4-3-8-19-16)17(20)23-15-7-9-22-18(15)21/h3-6,8,10,15H,7,9H2,1-2H3/t15-/m0/s1