methyl 3-[6-azanyl-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 3-[6-azanyl-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 3-[[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]sulfanyl]benzoate CAS Name: 3-[[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-yl]sulfanylbenzoate Traditional Name: 3-[[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridyl]thio]benzoic acid methyl ester Formula: C23H16N4O4S MolecularWeight: 444.46254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C23H16N4O4S/c1-29-23(28)14-3-2-4-15(9-14)32-22-17(12-25)20(16(11-24)21(26)27-22)13-5-6-18-19(10-13)31-8-7-30-18/h2-6,9-10H,7-8H2,1H3,(H2,26,27)