ethyl 5-azanyl-3-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(E)-3-(5-bromo-2-furyl)acryloyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H13BrN2O5S MolecularWeight: 425.25382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=CC=C(O2)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=CC=C(O2)Br

InChI

InChI=1S/C16H13BrN2O5S/c1-2-22-16(21)14-11(10(7-18)15(19)25-14)8-23-13(20)6-4-9-3-5-12(17)24-9/h3-6H,2,8,19H2,1H3/b6-4+