methyl 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-fluorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-fluorophenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H10BrFN2O3S MolecularWeight: 409.229603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)F)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)F)/C#N

InChI

InChI=1S/C16H10BrFN2O3S/c1-23-16(22)12-4-5-24-15(12)20-14(21)10(8-19)6-9-7-11(17)2-3-13(9)18/h2-7H,1H3,(H,20,21)/b10-6+