2-[3-[(5-ethylthiophen-2-yl)methyl]-1H-indol-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: 2-[3-[(5-ethylthiophen-2-yl)methyl]-1H-indol-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: 2-[3-[(5-ethyl-2-thienyl)methyl]-1H-indol-5-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-[3-[(5-ethyl-2-thiophenyl)methyl]-1H-indol-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: 2-[3-[(5-ethylthiophen-2-yl)methyl]-1H-indol-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 2-[3-[(5-ethyl-2-thienyl)methyl]-1H-indol-5-yl]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CC2=CNC3=C2C=C(C=C3)C4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CCC1=CC=C(S1)CC2=CNC3=C2C=C(C=C3)C4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C21H25NO5S/c1-2-13-4-5-14(28-13)7-12-9-22-16-6-3-11(8-15(12)16)21-20(26)19(25)18(24)17(10-23)27-21/h3-6,8-9,17-26H,2,7,10H2,1H3