2-[4-(2,6-dimethylmorpholin-4-yl)carbothioyl-2-ethoxy-6-iodanyl-phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2,6-dimethylmorpholin-4-yl)carbothioyl-2-ethoxy-6-iodanyl-phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2,6-dimethylmorpholine-4-carbothioyl)-2-ethoxy-6-iodo-phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(2,6-dimethyl-4-morpholinyl)-sulfanylidenemethyl]-2-ethoxy-6-iodophenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2,6-dimethylmorpholine-4-carbothioyl)-2-ethoxy-6-iodophenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(2,6-dimethylmorpholine-4-carbothioyl)-2-ethoxy-6-iodo-phenoxy]-1-pyrrolidino-ethanone Formula: C21H29IN2O4S MolecularWeight: 532.43543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CC(OC(C2)C)C)I)OCC(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CC(OC(C2)C)C)I)OCC(=O)N3CCCC3

InChI

InChI=1S/C21H29IN2O4S/c1-4-26-18-10-16(21(29)24-11-14(2)28-15(3)12-24)9-17(22)20(18)27-13-19(25)23-7-5-6-8-23/h9-10,14-15H,4-8,11-13H2,1-3H3