4-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2N(C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)S2)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N=C2N(C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)S2)C5CCCCC5

InChI

InChI=1S/C30H34N2O4S/c33-28-27(37-30(31-24-10-3-1-4-11-24)32(28)25-12-5-2-6-13-25)19-23-9-7-8-14-26(23)36-20-21-15-17-22(18-16-21)29(34)35/h7-9,14-19,24-25H,1-6,10-13,20H2,(H,34,35)