[(2R,3R,4S,5R,6R)-6-[(E)-[[(2-methylphenyl)carbamothioylamino]-(phenylmethylsulfanyl)methylidene]amino]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[(E)-[[(2-methylphenyl)carbamothioylamino]-(phenylmethylsulfanyl)methylidene]amino]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(E)-[benzylsulfanyl-(o-tolylcarbamothioylamino)methylene]amino]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(E)-[[[(2-methylanilino)-sulfanylidenemethyl]amino]-(phenylmethylthio)methylidene]amino]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(E)-[benzylsulfanyl-[(2-methylphenyl)carbamothioylamino]methylidene]amino]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(E)-[(benzylthio)-(o-tolylthiocarbamoylamino)methylene]amino]tetrahydropyran-2-yl]methyl ester Formula: C50H43N3O9S2 MolecularWeight: 894.02112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=NC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)SCC7=CC=CC=C7

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N/C(=N\[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)/SCC7=CC=CC=C7

InChI

InChI=1S/C50H43N3O9S2/c1-33-19-17-18-30-39(33)51-49(63)53-50(64-32-34-20-7-2-8-21-34)52-44-43(62-48(57)38-28-15-6-16-29-38)42(61-47(56)37-26-13-5-14-27-37)41(60-46(55)36-24-11-4-12-25-36)40(59-44)31-58-45(54)35-22-9-3-10-23-35/h2-30,40-44H,31-32H2,1H3,(H2,51,52,53,63)/t40-,41-,42+,43-,44-/m1/s1