ethyl 2-[4-(3-morpholin-4-ylpropylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3-morpholin-4-ylpropylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3-morpholinopropylcarbamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-morpholin-4-ylpropylcarbamoyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(3-morpholinopropylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-2-27-17(22)13-28-16-5-4-14(12-15(16)21(24)25)18(23)19-6-3-7-20-8-10-26-11-9-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,23)