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

Systemtic Name: methyl 2-[2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 2-[[2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]propanoylamino]benzoic acid methyl ester Formula: C22H17N5O4S MolecularWeight: 447.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C22H17N5O4S/c1-12(20(28)26-16-7-4-3-6-13(16)22(29)30-2)32-21-15(11-24)18(17-8-5-9-31-17)14(10-23)19(25)27-21/h3-9,12H,1-2H3,(H2,25,27)(H,26,28)