[(2R)-2-[(2S,3S,4R,5R)-5-(ethoxycarbothioylamino)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]-2-(phenylcarbonyloxy)ethyl] benzoate

Systemtic Name: [(2R)-2-[(2S,3S,4R,5R)-5-(ethoxycarbothioylamino)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]-2-(phenylcarbonyloxy)ethyl] benzoate Openeye Name: [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(ethoxycarbothioylamino)tetrahydrofuran-2-yl]ethyl] benzoate CAS Name: benzoic acid [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-[[ethoxy(sulfanylidene)methyl]amino]-2-oxolanyl]ethyl] ester IUPAC Name: [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(ethoxycarbothioylamino)oxolan-2-yl]ethyl] benzoate Traditional Name: benzoic acid [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(ethoxycarbothioylamino)tetrahydrofuran-2-yl]ethyl] ester Formula: C37H33NO10S MolecularWeight: 683.72362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1C(C(C(O1)C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=S)N[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H33NO10S/c1-2-43-37(49)38-32-31(48-36(42)27-21-13-6-14-22-27)30(47-35(41)26-19-11-5-12-20-26)29(46-32)28(45-34(40)25-17-9-4-10-18-25)23-44-33(39)24-15-7-3-8-16-24/h3-22,28-32H,2,23H2,1H3,(H,38,49)/t28-,29+,30+,31-,32-/m1/s1