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

Systemtic Name: 4-[3-[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propoxy]benzoic acid Openeye Name: 4-[3-[5-butyl-4-oxo-2-(3-phenoxyphenyl)thiazolidin-3-yl]propoxy]benzoic acid CAS Name: 4-[3-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-3-thiazolidinyl]propoxy]benzoic acid IUPAC Name: 4-[3-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propoxy]benzoic acid Traditional Name: 4-[3-[5-butyl-4-keto-2-(3-phenoxyphenyl)thiazolidin-3-yl]propoxy]benzoic acid Formula: C29H31NO5S MolecularWeight: 505.62514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CCCOC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CCCOC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H31NO5S/c1-2-3-13-26-27(31)30(18-8-19-34-23-16-14-21(15-17-23)29(32)33)28(36-26)22-9-7-12-25(20-22)35-24-10-5-4-6-11-24/h4-7,9-12,14-17,20,26,28H,2-3,8,13,18-19H2,1H3,(H,32,33)