ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-methylsulfanyl-3-(p-tolylsulfonylamino)prop-2-enoate CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-[(4-methylphenyl)sulfonylamino]-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylprop-2-enoate Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(methylthio)-3-(tosylamino)acrylic acid ethyl ester Formula: C20H25N2O4S2+ MolecularWeight: 421.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NS(=O)(=O)C1=CC=C(C=C1)C)SC)[N+]2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C(=C(NS(=O)(=O)C1=CC=C(C=C1)C)SC)[N+]2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H24N2O4S2/c1-6-26-20(23)18(22-12-15(3)11-16(4)13-22)19(27-5)21-28(24,25)17-9-7-14(2)8-10-17/h7-13H,6H2,1-5H3/p+1