(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]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 (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-12(2)17(22-19(24)13-4-6-15(26-3)7-5-13)20(25)27-10-16-21-18(23-28-16)14-8-9-29-11-14/h4-9,11-12,17H,10H2,1-3H3,(H,22,24)/t17-/m0/s1