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

Systemtic Name: methyl 2-[2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(6-amino-3,5-dicyano-4-methylpyridin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)N)C#N

InChI

InChI=1S/C20H19N5O5S/c1-10-12(7-21)18(23)25-19(13(10)8-22)31-9-17(26)24-14-6-16(29-3)15(28-2)5-11(14)20(27)30-4/h5-6H,9H2,1-4H3,(H2,23,25)(H,24,26)