(2-methoxy-5-nitro-phenyl)methyl 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-11(20)18-14(16-4-3-7-26-16)9-17(21)25-10-12-8-13(19(22)23)5-6-15(12)24-2/h3-8,14H,9-10H2,1-2H3,(H,18,20)