4-(furan-2-yl)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 4-(furan-2-yl)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 4-(2-furyl)-2-thioxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 4-(2-furanyl)-2-sulfanylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 4-(furan-2-yl)-2-sulfanylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 4-(2-furyl)-2-thioxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-6,7-dihydro-5H-1-pyrindine-3-carbonitrile Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N(C(=S)C(=C2C3=CC=CO3)C#N)C4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1CC2=C(C1)N(C(=S)C(=C2C3=CC=CO3)C#N)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C19H20N2O6S/c20-7-10-14(12-5-2-6-26-12)9-3-1-4-11(9)21(19(10)28)18-17(25)16(24)15(23)13(8-22)27-18/h2,5-6,13,15-18,22-25H,1,3-4,8H2/t13-,15-,16+,17-,18-/m1/s1