4-[[4-[[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodanyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[[3-[2-(azepan-1-yl)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[[3-[2-(1-azepanyl)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[[3-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[[3-[2-(azepan-1-yl)-2-keto-ethyl]-2,4-diketo-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzoic acid Formula: C28H29IN2O7S MolecularWeight: 664.50853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H29IN2O7S/c1-2-37-22-14-19(13-21(29)25(22)38-17-18-7-9-20(10-8-18)27(34)35)15-23-26(33)31(28(36)39-23)16-24(32)30-11-5-3-4-6-12-30/h7-10,13-15H,2-6,11-12,16-17H2,1H3,(H,34,35)