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

Systemtic Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate Openeye Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-(p-tolylsulfonylamino)prop-2-enoate CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-3-[(2-ethoxy-2-oxoethyl)thio]-3-[(4-methylphenyl)sulfonylamino]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(2-ethoxy-2-oxoethyl)sulfanyl-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-3-[(2-ethoxy-2-keto-ethyl)thio]-3-(tosylamino)acrylic acid ethyl ester Formula: C23H29N2O6S2+ MolecularWeight: 493.61616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=C(C(=O)OCC)[N+]1=CC(=CC(=C1)C)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CSC(=C(C(=O)OCC)[N+]1=CC(=CC(=C1)C)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H28N2O6S2/c1-6-30-20(26)15-32-22(24-33(28,29)19-10-8-16(3)9-11-19)21(23(27)31-7-2)25-13-17(4)12-18(5)14-25/h8-14H,6-7,15H2,1-5H3/p+1