methyl 2-[2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanylacetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(6-amino-3,5-dicyano-4-phenylpyridin-1-ium-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C25H22N5O5S+ MolecularWeight: 504.53768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C25H21N5O5S/c1-33-19-9-15(25(32)35-3)18(10-20(19)34-2)29-21(31)13-36-24-17(12-27)22(14-7-5-4-6-8-14)16(11-26)23(28)30-24/h4-10H,13H2,1-3H3,(H2,28,30)(H,29,31)/p+1