5-[[2-(4-hexanoylphenyl)-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-yl]methoxymethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[2-(4-hexanoylphenyl)-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-yl]methoxymethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[2-(4-hexanoylphenyl)-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]thiophene-2-carboxylic acid CAS Name: 5-[[1,1-dioxo-2-[4-(1-oxohexyl)phenyl]-1,2-thiazolidin-3-yl]methoxymethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(4-hexanoylphenyl)-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(4-caproylphenyl)-1,1-diketo-1,2-thiazolidin-3-yl]methoxymethyl]-2-thenoic acid Formula: C22H27NO6S2 MolecularWeight: 465.58288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)N2C(CCS2(=O)=O)COCC3=CC=C(S3)C(=O)O

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)N2C(CCS2(=O)=O)COCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C22H27NO6S2/c1-2-3-4-5-20(24)16-6-8-17(9-7-16)23-18(12-13-31(23,27)28)14-29-15-19-10-11-21(30-19)22(25)26/h6-11,18H,2-5,12-15H2,1H3,(H,25,26)