O-[[(3S)-2-oxidanylidene-4-phenyl-oxolan-3-yl]methyl] 4-methylbenzenecarbothioate

Systemtic Name: O-[[(3S)-2-oxidanylidene-4-phenyl-oxolan-3-yl]methyl] 4-methylbenzenecarbothioate Openeye Name: O-[[(3S)-2-oxo-4-phenyl-tetrahydrofuran-3-yl]methyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid O-[[(3S)-2-oxo-4-phenyl-3-oxolanyl]methyl] ester IUPAC Name: O-[[(3S)-2-oxo-4-phenyloxolan-3-yl]methyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid O-[[(3S)-2-keto-4-phenyl-tetrahydrofuran-3-yl]methyl] ester Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)OCC2C(COC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)OC[C@@H]2C(COC2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18O3S/c1-13-7-9-15(10-8-13)19(23)22-12-17-16(11-21-18(17)20)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16?,17-/m1/s1