(3-cyanophenyl)methyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid (3-cyanobenzyl) ester Formula: C20H13N3O3S MolecularWeight: 375.40052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H13N3O3S/c1-12-18-15(20(24)25-11-14-5-2-4-13(8-14)10-21)9-16(17-6-3-7-27-17)22-19(18)26-23-12/h2-9H,11H2,1H3