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

Systemtic Name: ethyl 5-azanyl-3-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(3-bromo-5-methoxy-4-propoxy-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(3-bromo-5-methoxy-4-propoxybenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(3-bromo-5-methoxy-4-propoxy-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)OC

InChI

InChI=1S/C20H21BrN2O6S/c1-4-6-28-16-14(21)7-11(8-15(16)26-3)19(24)29-10-13-12(9-22)18(23)30-17(13)20(25)27-5-2/h7-8H,4-6,10,23H2,1-3H3