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

Systemtic Name: ethyl 3-[(4-methylphenyl)sulfonylamino]-2-(3-methylpyridin-1-ium-1-yl)-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl 2-(3-methylpyridin-1-ium-1-yl)-3-methylsulfanyl-3-(p-tolylsulfonylamino)prop-2-enoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-2-(3-methyl-1-pyridin-1-iumyl)-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylphenyl)sulfonylamino]-2-(3-methylpyridin-1-ium-1-yl)-3-methylsulfanylprop-2-enoate Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)-3-(methylthio)-3-(tosylamino)acrylic acid ethyl ester Formula: C19H23N2O4S2+ MolecularWeight: 407.52692

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-5-25-19(22)17(21-12-6-7-15(3)13-21)18(26-4)20-27(23,24)16-10-8-14(2)9-11-16/h6-13H,5H2,1-4H3/p+1