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

Systemtic Name: ethyl 3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enoate Openeye Name: ethyl 3-methylsulfanyl-3-(p-tolylsulfonylamino)-2-pyridin-1-ium-1-yl-prop-2-enoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-3-(methylthio)-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enoate Traditional Name: 3-(methylthio)-2-pyridin-1-ium-1-yl-3-(tosylamino)acrylic acid ethyl ester Formula: C18H21N2O4S2+ MolecularWeight: 393.50034

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-4-24-18(21)16(20-12-6-5-7-13-20)17(25-3)19-26(22,23)15-10-8-14(2)9-11-15/h5-13H,4H2,1-3H3/p+1