[3,4,5,6-tetrakis(oxidanyl)-1-sulfanylidene-hexan-2-yl] 2-pyridin-2-ylethanoate

Systemtic Name: [3,4,5,6-tetrakis(oxidanyl)-1-sulfanylidene-hexan-2-yl] 2-pyridin-2-ylethanoate Openeye Name: (2,3,4,5-tetrahydroxy-1-methanethioyl-pentyl) 2-(2-pyridyl)acetate CAS Name: 2-(2-pyridinyl)acetic acid (3,4,5,6-tetrahydroxy-1-sulfanylidenehexan-2-yl) ester IUPAC Name: (3,4,5,6-tetrahydroxy-1-sulfanylidenehexan-2-yl) 2-pyridin-2-ylacetate Traditional Name: 2-(2-pyridyl)acetic acid (2,3,4,5-tetrahydroxy-1-thioformyl-pentyl) ester Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC(=O)OC(C=S)C(C(C(CO)O)O)O

Isomeric SMILES

C1=CC=NC(=C1)CC(=O)OC(C=S)C(C(C(CO)O)O)O

InChI

InChI=1S/C13H17NO6S/c15-6-9(16)12(18)13(19)10(7-21)20-11(17)5-8-3-1-2-4-14-8/h1-4,7,9-10,12-13,15-16,18-19H,5-6H2