methyl 3-[4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitro-phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitro-phenyl]propanoate Openeye Name: methyl 3-[4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitro-phenyl]propanoate CAS Name: 3-[4-[[2-[dimethylamino(oxo)methyl]phenyl]thio]-3-nitrophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitrophenyl]propanoate Traditional Name: 3-[4-[[2-(dimethylcarbamoyl)phenyl]thio]-3-nitro-phenyl]propionic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)CCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)CCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-20(2)19(23)14-6-4-5-7-16(14)27-17-10-8-13(9-11-18(22)26-3)12-15(17)21(24)25/h4-8,10,12H,9,11H2,1-3H3