[3,4,5-triacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[3-cyano-6-phenyl-2-sulfanyl-4-(2-thienyl)-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(3-cyano-2-mercapto-6-phenyl-4-thiophen-2-yl-4H-pyridin-1-yl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[3-cyano-2-mercapto-6-phenyl-4-(2-thienyl)-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C30H30N2O9S2 MolecularWeight: 626.6972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CS3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CS3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C30H30N2O9S2/c1-16(33)37-15-24-26(38-17(2)34)27(39-18(3)35)28(40-19(4)36)29(41-24)32-23(20-9-6-5-7-10-20)13-21(22(14-31)30(32)42)25-11-8-12-43-25/h5-13,21,24,26-29,42H,15H2,1-4H3