methyl 3-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H15BrFNO3S MolecularWeight: 412.273303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H15BrFNO3S/c1-23-17(22)10-14(15-3-2-8-24-15)20-16(21)7-4-11-9-12(18)5-6-13(11)19/h2-9,14H,10H2,1H3,(H,20,21)/b7-4+