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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic 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 (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=NO1)C2=CSC=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=NC(=NO1)C2=CSC=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4S/c1-12(2)16(22-19(25)20-14-6-4-3-5-7-14)18(24)26-10-15-21-17(23-27-15)13-8-9-28-11-13/h3-9,11-12,16H,10H2,1-2H3,(H2,20,22,25)/t16-/m1/s1