methyl 2-[[(E)-3-(5-bromanylfuran-2-yl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanylfuran-2-yl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-furyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-furanyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-furyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(O2)Br)C#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=C(O2)Br)/C#N)C

InChI

InChI=1S/C16H13BrN2O4S/c1-8-9(2)24-15(13(8)16(21)22-3)19-14(20)10(7-18)6-11-4-5-12(17)23-11/h4-6H,1-3H3,(H,19,20)/b10-6+