ethyl 3-[(3-methylthiophen-2-yl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate

Systemtic Name: ethyl 3-[(3-methylthiophen-2-yl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate Openeye Name: ethyl 3-[(3-methyl-2-thienyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate CAS Name: 3-[(3-methyl-2-thiophenyl)methyl-(4-nitrophenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methylthiophen-2-yl)methyl-(4-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-methyl-2-thienyl)methyl-nosyl-amino]propionic acid ethyl ester Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S2/c1-3-25-17(20)8-10-18(12-16-13(2)9-11-26-16)27(23,24)15-6-4-14(5-7-15)19(21)22/h4-7,9,11H,3,8,10,12H2,1-2H3