(3-phenyl-1,2-oxazol-5-yl)methyl 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridinyl)thio]acetic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 2-(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)thio]acetic acid (3-phenylisoxazol-5-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC2=CC(=NO2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OCC2=CC(=NO2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4S/c1-12-13(2)19(20(22)26)21(23-14(12)3)29-11-18(25)27-10-16-9-17(24-28-16)15-7-5-4-6-8-15/h4-9H,10-11H2,1-3H3,(H2,22,26)