(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-13(2)8-9-20-19-21-16(12-26-19)18(23)24-11-15-10-17(25-22-15)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,20,21)