[(2R,3S,5R)-5-carbamothioyl-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3S,5R)-5-carbamothioyl-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3S,5R)-5-carbamothioyl-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S,5R)-5-carbamothioyl-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-carbamothioyl-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S,5R)-3-p-toluoyloxy-5-thiocarbamoyl-tetrahydrofuran-2-yl]methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)C(=S)N)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)C(=S)N)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23NO5S/c1-13-3-7-15(8-4-13)21(24)26-12-19-17(11-18(27-19)20(23)29)28-22(25)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3,(H2,23,29)/t17-,18+,19+/m0/s1