(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC3=C2C(=NO3)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC3=C2C(=NO3)C)C4CC4

InChI

InChI=1S/C20H18N4O5S/c1-3-27-20(26)16-13(12(7-21)17(22)30-16)8-28-19(25)11-6-14(10-4-5-10)23-18-15(11)9(2)24-29-18/h6,10H,3-5,8,22H2,1-2H3