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

Systemtic Name: ethyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl 2-(3-carbamoylpyridin-1-ium-1-yl)-3-methylsulfanyl-3-(p-tolylsulfonylamino)prop-2-enoate CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)-3-[(4-methylphenyl)sulfonylamino]-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(3-carbamoylpyridin-1-ium-1-yl)-3-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylprop-2-enoate Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)-3-(methylthio)-3-(tosylamino)acrylic acid ethyl ester Formula: C19H22N3O5S2+ MolecularWeight: 436.52508

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-4-27-19(24)16(22-11-5-6-14(12-22)17(20)23)18(28-3)21-29(25,26)15-9-7-13(2)8-10-15/h5-12H,4H2,1-3H3,(H2-,20,21,23,24)/p+1