1,3-benzothiazol-2-ylmethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-6-phenyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H15N3O3S/c1-13-20-15(11-17(24-21(20)28-25-13)14-7-3-2-4-8-14)22(26)27-12-19-23-16-9-5-6-10-18(16)29-19/h2-11H,12H2,1H3