[3,4-diacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl ethanoate; ethanoic acid

Systemtic Name: [3,4-diacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl ethanoate; ethanoic acid Openeye Name: acetic acid; [3,4-diacetoxy-6-[3-cyano-6-phenyl-2-sulfanyl-4-(2-thienyl)-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid; acetic acid [3,4-diacetyloxy-6-(3-cyano-2-mercapto-6-phenyl-4-thiophen-2-yl-4H-pyridin-1-yl)-2-oxanyl]methyl ester IUPAC Name: acetic acid; [3,4-diacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid; acetic acid [3,4-diacetoxy-6-[3-cyano-2-mercapto-6-phenyl-4-(2-thienyl)-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C30H32N2O9S2 MolecularWeight: 628.71308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O7S2.C2H4O2/c1-16(31)34-15-24-27(36-18(3)33)23(35-17(2)32)13-26(37-24)30-22(19-8-5-4-6-9-19)12-20(21(14-29)28(30)38)25-10-7-11-39-25;1-2(3)4/h4-12,20,23-24,26-27,38H,13,15H2,1-3H3;1H3,(H,3,4)