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

Systemtic Name: ethyl 2-[[(E)-3-(3-bromanyl-5-iodanyl-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(3-bromo-4-hydroxy-5-iodo-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-4-hydroxy-5-iodophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-bromo-4-hydroxy-5-iodophenyl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-4-hydroxy-5-iodo-phenyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H16BrIN2O4S MolecularWeight: 575.21481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(C(=C2)I)O)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC(=C(C(=C2)I)O)Br)/C#N

InChI

InChI=1S/C19H16BrIN2O4S/c1-4-27-19(26)15-9(2)10(3)28-18(15)23-17(25)12(8-22)5-11-6-13(20)16(24)14(21)7-11/h5-7,24H,4H2,1-3H3,(H,23,25)/b12-5+