dimethyl 2-[(2S,4R)-1-(2-hydroxyethyl)-2-(3-phenylsulfanyl-1H-indol-2-yl)piperidin-4-yl]propanedioate

Systemtic Name: dimethyl 2-[(2S,4R)-1-(2-hydroxyethyl)-2-(3-phenylsulfanyl-1H-indol-2-yl)piperidin-4-yl]propanedioate Openeye Name: dimethyl 2-[(2S,4R)-1-(2-hydroxyethyl)-2-(3-phenylsulfanyl-1H-indol-2-yl)-4-piperidyl]propanedioate CAS Name: 2-[(2S,4R)-1-(2-hydroxyethyl)-2-[3-(phenylthio)-1H-indol-2-yl]-4-piperidinyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2S,4R)-1-(2-hydroxyethyl)-2-(3-phenylsulfanyl-1H-indol-2-yl)piperidin-4-yl]propanedioate Traditional Name: 2-[(2S,4R)-1-(2-hydroxyethyl)-2-[3-(phenylthio)-1H-indol-2-yl]-4-piperidyl]malonic acid dimethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCN(C(C1)C2=C(C3=CC=CC=C3N2)SC4=CC=CC=C4)CCO)C(=O)OC

Isomeric SMILES

COC(=O)C([C@@H]1CCN([C@@H](C1)C2=C(C3=CC=CC=C3N2)SC4=CC=CC=C4)CCO)C(=O)OC

InChI

InChI=1S/C26H30N2O5S/c1-32-25(30)22(26(31)33-2)17-12-13-28(14-15-29)21(16-17)23-24(34-18-8-4-3-5-9-18)19-10-6-7-11-20(19)27-23/h3-11,17,21-22,27,29H,12-16H2,1-2H3/t17-,21+/m1/s1