(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: 3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[(2-phenylacetyl)amino]butyric acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=NO1)C2=CSC=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC(=NO1)C2=CSC=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-13(2)18(21-16(24)10-14-6-4-3-5-7-14)20(25)26-11-17-22-19(23-27-17)15-8-9-28-12-15/h3-9,12-13,18H,10-11H2,1-2H3,(H,21,24)