[(2R,3S,4R,5R)-4-benzamido-5-carbamothioyl-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5R)-4-benzamido-5-carbamothioyl-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5R)-4-benzamido-5-carbamothioyl-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5R)-4-benzamido-5-carbamothioyl-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-4-benzamido-5-carbamothioyl-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R)-4-benzamido-3-hydroxy-5-thiocarbamoyl-tetrahydrofuran-2-yl]methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2C(C(OC2C(=S)N)COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2C(=S)N)COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H20N2O5S/c21-18(28)17-15(22-19(24)12-7-3-1-4-8-12)16(23)14(27-17)11-26-20(25)13-9-5-2-6-10-13/h1-10,14-17,23H,11H2,(H2,21,28)(H,22,24)/t14-,15-,16-,17-/m1/s1