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3-Thiophenecarboxylic acid, 5-[(2-chlorophenyl)[4-(ethoxycarbonyl)-3-hydroxy-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, ethyl ester
SpectraBase Compound ID 4q7zvKMzbJc
InChI InChI=1S/C23H23ClO6S2/c1-5-29-22(27)15-11(3)31-20(18(15)25)17(13-9-7-8-10-14(13)24)21-19(26)16(12(4)32-21)23(28)30-6-2/h7-10,17,25-26H,5-6H2,1-4H3
InChIKey PIHJGGYOUSOOEX-UHFFFAOYSA-N
Mol Weight 495.0 g/mol
Molecular Formula C23H23ClO6S2
Exact Mass 494.062459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Rfc8ZrpG9r
Name 3-Thiophenecarboxylic acid, 5-[(2-chlorophenyl)[4-(ethoxycarbonyl)-3-hydroxy-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23ClO6S2
InChI InChI=1S/C23H23ClO6S2/c1-5-29-22(27)15-11(3)31-20(18(15)25)17(13-9-7-8-10-14(13)24)21-19(26)16(12(4)32-21)23(28)30-6-2/h7-10,17,25-26H,5-6H2,1-4H3
InChIKey PIHJGGYOUSOOEX-UHFFFAOYSA-N
Molecular Weight 495.004 g/mol
SMILES Oc1c(C(c2sc(c(c2O)C(=O)OCC)C)c2ccccc2Cl)sc(c1C(=O)OCC)C
SPLASH splash10-014i-9641000000-d45387f4a8900f07b632
Source of Spectrum IY-2-5038-8
Synonyms Ethyl 5-[(2-chlorophenyl)[4-(ethoxycarbonyl)-3-hydroxy-5-methylthiophen-2-yl]methyl]-4-hydroxy-2-methylthiophene-3-carboxylate 5-[(2-chlorophenyl)-(4-ethoxycarbonyl-3-hydroxy-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid ethyl ester Ethyl 5-[(2-chlorophenyl)-(4-ethoxycarbonyl-3-hydroxy-5-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate Ethyl 5-[(2-chlorophenyl)-(4-ethoxycarbonyl-3-hydroxy-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Ethyl 5-[(2-chlorophenyl)-(4-ethoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1658371