ethyl (E)-3-[4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitro-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitro-phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-[dimethylamino(oxo)methyl]phenyl]thio]-3-nitrophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(dimethylcarbamoyl)phenyl]thio]-3-nitro-phenyl]acrylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-4-27-19(23)12-10-14-9-11-18(16(13-14)22(25)26)28-17-8-6-5-7-15(17)20(24)21(2)3/h5-13H,4H2,1-3H3/b12-10+