methyl 5-[(E)-1-acetyloxy-2-[4-methoxycarbonyl-1-(methoxymethyl)pyrrol-2-yl]-2-(4-methylphenyl)sulfonyl-ethenyl]-1-(methoxymethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(E)-1-acetyloxy-2-[4-methoxycarbonyl-1-(methoxymethyl)pyrrol-2-yl]-2-(4-methylphenyl)sulfonyl-ethenyl]-1-(methoxymethyl)pyrrole-3-carboxylate Openeye Name: methyl 5-[(E)-1-acetoxy-2-[4-methoxycarbonyl-1-(methoxymethyl)pyrrol-2-yl]-2-(p-tolylsulfonyl)vinyl]-1-(methoxymethyl)pyrrole-3-carboxylate CAS Name: 5-[(E)-1-acetyloxy-2-[4-methoxycarbonyl-1-(methoxymethyl)-2-pyrrolyl]-2-(4-methylphenyl)sulfonylethenyl]-1-(methoxymethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-1-acetyloxy-2-[4-methoxycarbonyl-1-(methoxymethyl)pyrrol-2-yl]-2-(4-methylphenyl)sulfonylethenyl]-1-(methoxymethyl)pyrrole-3-carboxylate Traditional Name: 5-[(E)-1-acetoxy-2-[4-carbomethoxy-1-(methoxymethyl)pyrrol-2-yl]-2-tosyl-vinyl]-1-(methoxymethyl)pyrrole-3-carboxylic acid methyl ester Formula: C27H30N2O10S MolecularWeight: 574.5995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C(C2=CC(=CN2COC)C(=O)OC)OC(=O)C)C3=CC(=CN3COC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C(\C2=CC(=CN2COC)C(=O)OC)/OC(=O)C)/C3=CC(=CN3COC)C(=O)OC

InChI

InChI=1S/C27H30N2O10S/c1-17-7-9-21(10-8-17)40(33,34)25(23-12-20(27(32)38-6)14-29(23)16-36-4)24(39-18(2)30)22-11-19(26(31)37-5)13-28(22)15-35-3/h7-14H,15-16H2,1-6H3/b25-24+