[3,4,5-triacetyloxy-6-[4-(4-ethylphenyl)carbonylpyridin-3-yl]oxy-thian-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[4-(4-ethylphenyl)carbonylpyridin-3-yl]oxy-thian-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[[4-(4-ethylbenzoyl)-3-pyridyl]oxy]tetrahydrothiopyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[4-[(4-ethylphenyl)-oxomethyl]-3-pyridinyl]oxy]-2-thianyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[4-(4-ethylbenzoyl)pyridin-3-yl]oxythian-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[[4-(4-ethylbenzoyl)-3-pyridyl]oxy]tetrahydrothiopyran-2-yl]methyl ester Formula: C28H31NO10S MolecularWeight: 573.61144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=C(C=NC=C2)OC3C(C(C(C(S3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=C(C=NC=C2)OC3C(C(C(C(S3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H31NO10S/c1-6-19-7-9-20(10-8-19)24(34)21-11-12-29-13-22(21)39-28-27(38-18(5)33)26(37-17(4)32)25(36-16(3)31)23(40-28)14-35-15(2)30/h7-13,23,25-28H,6,14H2,1-5H3