ethyl 3-[(4-nitrophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-nitrophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(4-nitrophenyl)sulfonyl-(2-thienylmethyl)amino]propanoate CAS Name: 3-[(4-nitrophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-nitrophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]propanoate Traditional Name: 3-[nosyl(2-thenyl)amino]propionic acid ethyl ester Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6S2/c1-2-24-16(19)9-10-17(12-14-4-3-11-25-14)26(22,23)15-7-5-13(6-8-15)18(20)21/h3-8,11H,2,9-10,12H2,1H3