3-[[4-methyl-1,1-bis(oxidanylidene)-2-[3-[oxidanyl-(1-propylcyclobutyl)methyl]phenyl]-1,2-thiazolidin-3-yl]methoxymethyl]benzoic acid

Systemtic Name: 3-[[4-methyl-1,1-bis(oxidanylidene)-2-[3-[oxidanyl-(1-propylcyclobutyl)methyl]phenyl]-1,2-thiazolidin-3-yl]methoxymethyl]benzoic acid Openeye Name: 3-[[2-[3-[hydroxy-(1-propylcyclobutyl)methyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]benzoic acid CAS Name: 3-[[2-[3-[hydroxy-(1-propylcyclobutyl)methyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]benzoic acid IUPAC Name: 3-[[2-[3-[hydroxy-(1-propylcyclobutyl)methyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]benzoic acid Traditional Name: 3-[[2-[3-[hydroxy-(1-propylcyclobutyl)methyl]phenyl]-1,1-diketo-4-methyl-1,2-thiazolidin-3-yl]methoxymethyl]benzoic acid Formula: C27H35NO6S MolecularWeight: 501.6349

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC1)C(C2=CC(=CC=C2)N3C(C(CS3(=O)=O)C)COCC4=CC=CC(=C4)C(=O)O)O

Isomeric SMILES

CCCC1(CCC1)C(C2=CC(=CC=C2)N3C(C(CS3(=O)=O)C)COCC4=CC=CC(=C4)C(=O)O)O

InChI

InChI=1S/C27H35NO6S/c1-3-11-27(12-6-13-27)25(29)21-8-5-10-23(15-21)28-24(19(2)18-35(28,32)33)17-34-16-20-7-4-9-22(14-20)26(30)31/h4-5,7-10,14-15,19,24-25,29H,3,6,11-13,16-18H2,1-2H3,(H,30,31)