propan-2-yl 2-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: propan-2-yl 2-[6-azanyl-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: isopropyl 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]acetic acid isopropyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC(=C(C(=C2)OC)OC)OC)C#N

Isomeric SMILES

CC(C)OC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC(=C(C(=C2)OC)OC)OC)C#N

InChI

InChI=1S/C21H22N4O5S/c1-11(2)30-17(26)10-31-21-14(9-23)18(13(8-22)20(24)25-21)12-6-15(27-3)19(29-5)16(7-12)28-4/h6-7,11H,10H2,1-5H3,(H2,24,25)