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

Systemtic Name: ethyl 2-[4-(2-morpholin-4-ylethylcarbamoyl)-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(2-morpholinoethylcarbamoyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-morpholin-4-ylethylcarbamoyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(2-morpholinoethylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6S/c1-2-26-16(21)12-27-15-4-3-13(11-14(15)20(23)24)17(22)18-5-6-19-7-9-25-10-8-19/h3-4,11H,2,5-10,12H2,1H3,(H,18,22)