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

Systemtic Name: methyl 2-[2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C19H17N5O5S MolecularWeight: 427.43378

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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(=N2)N)C#N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N)OC

InChI

InChI=1S/C19H17N5O5S/c1-27-14-5-12(19(26)29-3)13(6-15(14)28-2)23-16(25)9-30-18-11(8-21)4-10(7-20)17(22)24-18/h4-6H,9H2,1-3H3,(H2,22,24)(H,23,25)