[(4-acetyloxyphenyl)carbonylsulfanyl-(5-ethynyl-2-methyl-pyridin-3-yl)methyl] 2-acetyloxybenzoate

Systemtic Name: [(4-acetyloxyphenyl)carbonylsulfanyl-(5-ethynyl-2-methyl-pyridin-3-yl)methyl] 2-acetyloxybenzoate Openeye Name: [(4-acetoxybenzoyl)sulfanyl-(5-ethynyl-2-methyl-3-pyridyl)methyl] 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [[[(4-acetyloxyphenyl)-oxomethyl]thio]-(5-ethynyl-2-methyl-3-pyridinyl)methyl] ester IUPAC Name: [(4-acetyloxybenzoyl)sulfanyl-(5-ethynyl-2-methylpyridin-3-yl)methyl] 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [[(4-acetoxybenzoyl)thio]-(5-ethynyl-2-methyl-3-pyridyl)methyl] ester Formula: C27H21NO7S MolecularWeight: 503.52314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=N1)C#C)C(OC(=O)C2=CC=CC=C2OC(=O)C)SC(=O)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CC1=C(C=C(C=N1)C#C)C(OC(=O)C2=CC=CC=C2OC(=O)C)SC(=O)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C27H21NO7S/c1-5-19-14-23(16(2)28-15-19)27(35-25(31)22-8-6-7-9-24(22)34-18(4)30)36-26(32)20-10-12-21(13-11-20)33-17(3)29/h1,6-15,27H,2-4H3