ethyl 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo-(phenethylamino)methyl]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(phenethylcarbamoyl)phenyl]thio]acetic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-2-26-18(22)13-27-17-9-8-15(12-16(17)21(24)25)19(23)20-11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)