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

Systemtic Name: methyl 2-[4-[[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]-2-iodanyl-6-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[[3-[2-(azepan-1-yl)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxy-phenoxy]acetate CAS Name: 2-[4-[[3-[2-(1-azepanyl)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[3-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[[3-[2-(azepan-1-yl)-2-keto-ethyl]-2,4-diketo-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxy-phenoxy]acetic acid methyl ester Formula: C22H25IN2O7S MolecularWeight: 588.41257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I)OCC(=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I)OCC(=O)OC

InChI

InChI=1S/C22H25IN2O7S/c1-30-16-10-14(9-15(23)20(16)32-13-19(27)31-2)11-17-21(28)25(22(29)33-17)12-18(26)24-7-5-3-4-6-8-24/h9-11H,3-8,12-13H2,1-2H3