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

Systemtic Name: ethyl 2-(3-azanylpyridin-1-ium-1-yl)-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl 2-(3-aminopyridin-1-ium-1-yl)-3-methylsulfanyl-3-(p-tolylsulfonylamino)prop-2-enoate CAS Name: 2-(3-amino-1-pyridin-1-iumyl)-3-[(4-methylphenyl)sulfonylamino]-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(3-aminopyridin-1-ium-1-yl)-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylprop-2-enoate Traditional Name: 2-(3-aminopyridin-1-ium-1-yl)-3-(methylthio)-3-(tosylamino)acrylic acid ethyl ester Formula: C18H22N3O4S2+ MolecularWeight: 408.51498

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-4-25-18(22)16(21-11-5-6-14(19)12-21)17(26-3)20-27(23,24)15-9-7-13(2)8-10-15/h5-12H,4,19H2,1-3H3/p+1