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

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-[(4-methylphenyl)sulfonylamino]-2-pyridin-1-ium-1-yl-prop-2-enoate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-(p-tolylsulfonylamino)-2-pyridin-1-ium-1-yl-prop-2-enoate CAS Name: 3-[(2-ethoxy-2-oxoethyl)thio]-3-[(4-methylphenyl)sulfonylamino]-2-(1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-3-[(4-methylphenyl)sulfonylamino]-2-pyridin-1-ium-1-ylprop-2-enoate Traditional Name: 3-[(2-ethoxy-2-keto-ethyl)thio]-2-pyridin-1-ium-1-yl-3-(tosylamino)acrylic acid ethyl ester Formula: C21H25N2O6S2+ MolecularWeight: 465.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-4-28-18(24)15-30-20(22-31(26,27)17-11-9-16(3)10-12-17)19(21(25)29-5-2)23-13-7-6-8-14-23/h6-14H,4-5,15H2,1-3H3/p+1