O1-methyl O3-(phenylmethyl) 2-[6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]-1H-indol-2-yl]propanedioate

Systemtic Name: O1-methyl O3-(phenylmethyl) 2-[6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]-1H-indol-2-yl]propanedioate Openeye Name: O1-benzyl O3-methyl 2-[6-methylsulfonyloxy-3-(2-tetrahydropyran-2-yloxyethyl)-1H-indol-2-yl]propanedioate CAS Name: 2-[6-methylsulfonyloxy-3-[2-(2-oxanyloxy)ethyl]-1H-indol-2-yl]propanedioic acid O1-methyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-methyl 2-[6-methylsulfonyloxy-3-[2-(oxan-2-yloxy)ethyl]-1H-indol-2-yl]propanedioate Traditional Name: 2-[6-methylsulfonyloxy-3-(2-tetrahydropyran-2-yloxyethyl)-1H-indol-2-yl]malonic acid O1-benzyl ester O3-methyl ester Formula: C27H31NO9S MolecularWeight: 545.60134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C2=C(N1)C=C(C=C2)OS(=O)(=O)C)CCOC3CCCCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C1=C(C2=C(N1)C=C(C=C2)OS(=O)(=O)C)CCOC3CCCCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31NO9S/c1-33-26(29)24(27(30)36-17-18-8-4-3-5-9-18)25-21(13-15-35-23-10-6-7-14-34-23)20-12-11-19(16-22(20)28-25)37-38(2,31)32/h3-5,8-9,11-12,16,23-24,28H,6-7,10,13-15,17H2,1-2H3