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

Systemtic Name: [(2R)-2-[(2S,3S,4R,5R)-5-(butoxycarbothioylamino)-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-(butoxycarbothioylamino)tetrahydrofuran-2-yl]ethyl] benzoate CAS Name: benzoic acid [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-[[butoxy(sulfanylidene)methyl]amino]-2-oxolanyl]ethyl] ester IUPAC Name: [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(butoxycarbothioylamino)oxolan-2-yl]ethyl] benzoate Traditional Name: benzoic acid [(2R)-2-benzoyloxy-2-[(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(butoxycarbothioylamino)tetrahydrofuran-2-yl]ethyl] ester Formula: C39H37NO10S MolecularWeight: 711.77678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C39H37NO10S/c1-2-3-24-45-39(51)40-34-33(50-38(44)29-22-14-7-15-23-29)32(49-37(43)28-20-12-6-13-21-28)31(48-34)30(47-36(42)27-18-10-5-11-19-27)25-46-35(41)26-16-8-4-9-17-26/h4-23,30-34H,2-3,24-25H2,1H3,(H,40,51)/t30-,31+,32+,33-,34-/m1/s1