4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]pyrrol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]pyrrol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]pyrrol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-pyrrolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]pyrrol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]pyrrol-1-yl]methyl]benzoic acid Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C24H25NO4S/c1-2-3-5-20-11-12-21(14-19(24(28)29)15-22-6-4-13-30-22)25(20)16-17-7-9-18(10-8-17)23(26)27/h4,6-14H,2-3,5,15-16H2,1H3,(H,26,27)(H,28,29)/b19-14+