[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[1-cyano-4-(furan-2-yl)-2-sulfanylidene-5,6-dihydrobenzo[f]isoquinolin-3-yl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[1-cyano-4-(furan-2-yl)-2-sulfanylidene-5,6-dihydrobenzo[f]isoquinolin-3-yl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[1-cyano-4-(2-furyl)-2-thioxo-5,6-dihydrobenzo[f]isoquinolin-3-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[1-cyano-4-(2-furanyl)-2-sulfanylidene-5,6-dihydrobenzo[f]isoquinolin-3-yl]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[1-cyano-4-(furan-2-yl)-2-sulfanylidene-5,6-dihydrobenzo[f]isoquinolin-3-yl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-[1-cyano-4-(2-furyl)-2-thioxo-5,6-dihydrobenz[f]isoquinolin-3-yl]tetrahydropyran-2-yl]methyl ester Formula: C32H30N2O10S MolecularWeight: 634.653

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C(=C3CCC4=CC=CC=C4C3=C(C2=S)C#N)C5=CC=CO5)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2C(=C3CCC4=CC=CC=C4C3=C(C2=S)C#N)C5=CC=CO5)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C32H30N2O10S/c1-16(35)40-15-25-28(41-17(2)36)29(42-18(3)37)30(43-19(4)38)31(44-25)34-27(24-10-7-13-39-24)22-12-11-20-8-5-6-9-21(20)26(22)23(14-33)32(34)45/h5-10,13,25,28-31H,11-12,15H2,1-4H3/t25-,28+,29+,30-,31-/m1/s1