ethyl 2-[[(E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-hydroxy-3-nitro-phenyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H16BrN3O6S MolecularWeight: 494.31584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC(=CC(=C2O)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C19H16BrN3O6S/c1-4-29-19(26)15-9(2)10(3)30-18(15)22-17(25)12(8-21)5-11-6-13(20)7-14(16(11)24)23(27)28/h5-7,24H,4H2,1-3H3,(H,22,25)/b12-5+