ethyl 3-[(5-chloranylthiophen-2-yl)methyl-ethyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(5-chloranylthiophen-2-yl)methyl-ethyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(5-chloro-2-thienyl)methyl-ethyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-chloro-2-thiophenyl)methyl-ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-chloro-2-thienyl)methyl-ethyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H17ClN2O5S/c1-3-19(10-14-5-6-15(18)26-14)16(21)11-7-12(17(22)25-4-2)9-13(8-11)20(23)24/h5-9H,3-4,10H2,1-2H3