ethyl 5-azanyl-3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(3-bromo-4-ethoxy-5-methoxy-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(3-bromo-4-ethoxy-5-methoxyphenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(3-bromo-4-ethoxy-5-methoxybenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(3-bromo-4-ethoxy-5-methoxy-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H19BrN2O6S MolecularWeight: 483.33296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OC

InChI

InChI=1S/C19H19BrN2O6S/c1-4-26-15-13(20)6-10(7-14(15)25-3)18(23)28-9-12-11(8-21)17(22)29-16(12)19(24)27-5-2/h6-7H,4-5,9,22H2,1-3H3