(4-nitrophenyl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (4-nitrophenyl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid (4-nitrobenzyl) ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CS2

InChI

InChI=1S/C17H18N2O5S/c1-11(2)15(18-16(20)14-4-3-9-25-14)17(21)24-10-12-5-7-13(8-6-12)19(22)23/h3-9,11,15H,10H2,1-2H3,(H,18,20)