4-[4-[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]butyl]benzoic acid

Systemtic Name: 4-[4-[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]butyl]benzoic acid Openeye Name: 4-[4-[5-butyl-4-oxo-2-(3-phenoxyphenyl)thiazolidin-3-yl]butyl]benzoic acid CAS Name: 4-[4-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-3-thiazolidinyl]butyl]benzoic acid IUPAC Name: 4-[4-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]butyl]benzoic acid Traditional Name: 4-[4-[5-butyl-4-keto-2-(3-phenoxyphenyl)thiazolidin-3-yl]butyl]benzoic acid Formula: C30H33NO4S MolecularWeight: 503.65232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CCCCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CCCCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C30H33NO4S/c1-2-3-15-27-28(32)31(20-8-7-10-22-16-18-23(19-17-22)30(33)34)29(36-27)24-11-9-14-26(21-24)35-25-12-5-4-6-13-25/h4-6,9,11-14,16-19,21,27,29H,2-3,7-8,10,15,20H2,1H3,(H,33,34)