3-[(2-ethoxyphenyl)amino]-1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(2-ethoxyphenyl)amino]-1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-ethoxyanilino)-1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2-ethoxyanilino)-3-mercapto-1-(4-methoxyphenyl)-2-(3-methyl-1-imidazol-3-iumyl)-2-propen-1-one IUPAC Name: 3-(2-ethoxyanilino)-1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)-3-(o-phenetidino)prop-2-en-1-one Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(C=C2)OC)N3C=C[N+](=C3)C)S

Isomeric SMILES

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC=C(C=C2)OC)N3C=C[N+](=C3)C)S

InChI

InChI=1S/C22H23N3O3S/c1-4-28-19-8-6-5-7-18(19)23-22(29)20(25-14-13-24(2)15-25)21(26)16-9-11-17(27-3)12-10-16/h5-15H,4H2,1-3H3,(H-,23,26,29)/p+1