2-[2-[2-[(4-butoxy-3-ethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[2-[(4-butoxy-3-ethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[2-[(4-butoxy-3-ethoxy-phenyl)methylamino]-2-oxo-ethyl]thiazol-4-yl]acetate CAS Name: 2-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylamino]-2-oxoethyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-[(4-butoxy-3-ethoxy-benzyl)amino]-2-keto-ethyl]thiazol-4-yl]acetate Formula: C20H25N2O5S- MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=CS2)CC(=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=CS2)CC(=O)[O-])OCC

InChI

InChI=1S/C20H26N2O5S/c1-3-5-8-27-16-7-6-14(9-17(16)26-4-2)12-21-18(23)11-19-22-15(13-28-19)10-20(24)25/h6-7,9,13H,3-5,8,10-12H2,1-2H3,(H,21,23)(H,24,25)/p-1