propan-2-yl 2-[[(E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-4-fluorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(3-bromo-4-fluorophenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C18H14BrFN2O3S MolecularWeight: 437.282763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrFN2O3S/c1-10(2)25-18(24)13-5-6-26-17(13)22-16(23)12(9-21)7-11-3-4-15(20)14(19)8-11/h3-8,10H,1-2H3,(H,22,23)/b12-7+