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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OC(=O)C2=CC=CC=C2OC(=O)C)CSC(=O)C3=CC=CC=C3OC(=O)C)C#C

Isomeric SMILES

CC1=NC=C(C(=C1OC(=O)C2=CC=CC=C2OC(=O)C)CSC(=O)C3=CC=CC=C3OC(=O)C)C#C

InChI

InChI=1S/C27H21NO7S/c1-5-19-14-28-16(2)25(35-26(31)20-10-6-8-12-23(20)33-17(3)29)22(19)15-36-27(32)21-11-7-9-13-24(21)34-18(4)30/h1,6-14H,15H2,2-4H3