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

Systemtic Name: 4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]pyrrol-1-yl]methyl]naphthalene-1-carboxylic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]pyrrol-1-yl]methyl]naphthalene-1-carboxylic acid CAS Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-pyrrolyl]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]pyrrol-1-yl]methyl]naphthalene-1-carboxylic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]pyrrol-1-yl]methyl]-1-naphthoic acid Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(N1CC2=CC=C(C3=CC=CC=C23)C(=O)O)C=C(CC4=CC=CS4)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(N1CC2=CC=C(C3=CC=CC=C23)C(=O)O)/C=C(\CC4=CC=CS4)/C(=O)O

InChI

InChI=1S/C28H27NO4S/c1-2-3-7-21-12-13-22(16-20(27(30)31)17-23-8-6-15-34-23)29(21)18-19-11-14-26(28(32)33)25-10-5-4-9-24(19)25/h4-6,8-16H,2-3,7,17-18H2,1H3,(H,30,31)(H,32,33)/b20-16+