[5-(ethanethioylamino)-2-methoxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [5-(ethanethioylamino)-2-methoxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [3-benzoyloxy-5-(ethanethioylamino)-2-methoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-methoxy-5-(1-sulfanylideneethylamino)-4-oxanyl] ester IUPAC Name: [3-benzoyloxy-5-(ethanethioylamino)-2-methoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-2-methoxy-5-(thioacetylamino)tetrahydropyran-4-yl] ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1COC(C(C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC(=S)NC1COC(C(C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H23NO6S/c1-14(30)23-17-13-27-22(26-2)19(29-21(25)16-11-7-4-8-12-16)18(17)28-20(24)15-9-5-3-6-10-15/h3-12,17-19,22H,13H2,1-2H3,(H,23,30)