(phenylmethyl) 3-[(1S,2R)-3-methoxy-1,2-bis(oxidanyl)-3-oxidanylidene-propyl]-2-phenylsulfanyl-indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(1S,2R)-3-methoxy-1,2-bis(oxidanyl)-3-oxidanylidene-propyl]-2-phenylsulfanyl-indole-1-carboxylate Openeye Name: benzyl 3-[(1S,2R)-1,2-dihydroxy-3-methoxy-3-oxo-propyl]-2-phenylsulfanyl-indole-1-carboxylate CAS Name: 3-[(1S,2R)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-2-(phenylthio)-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(1S,2R)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-2-phenylsulfanylindole-1-carboxylate Traditional Name: 3-[(1S,2R)-1,2-dihydroxy-3-keto-3-methoxy-propyl]-2-(phenylthio)indole-1-carboxylic acid benzyl ester Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=C(N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)O)O

Isomeric SMILES

COC(=O)[C@@H]([C@H](C1=C(N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)O)O

InChI

InChI=1S/C26H23NO6S/c1-32-25(30)23(29)22(28)21-19-14-8-9-15-20(19)27(24(21)34-18-12-6-3-7-13-18)26(31)33-16-17-10-4-2-5-11-17/h2-15,22-23,28-29H,16H2,1H3/t22-,23+/m0/s1