4-(furan-2-yl)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,7-dimethyl-5-oxidanylidene-2-sulfanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 4-(furan-2-yl)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,7-dimethyl-5-oxidanylidene-2-sulfanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 4-(2-furyl)-7,7-dimethyl-5-oxo-2-thioxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,8-dihydroquinoline-3-carbonitrile CAS Name: 4-(2-furanyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 4-(furan-2-yl)-7,7-dimethyl-5-oxo-2-sulfanylidene-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 4-(2-furyl)-5-keto-7,7-dimethyl-2-thioxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-6,8-dihydroquinoline-3-carbonitrile Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C#N)C4=CC=CO4)C

InChI

InChI=1S/C22H24N2O7S/c1-22(2)6-11-16(12(26)7-22)15(13-4-3-5-30-13)10(8-23)21(32)24(11)20-19(29)18(28)17(27)14(9-25)31-20/h3-5,14,17-20,25,27-29H,6-7,9H2,1-2H3/t14-,17-,18+,19-,20-/m1/s1