ethyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H20BrNO4S MolecularWeight: 486.3782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H20BrNO4S/c1-3-29-23(27)21-18(15-7-5-4-6-8-15)14-30-22(21)25-20(26)12-9-16-13-17(24)10-11-19(16)28-2/h4-14H,3H2,1-2H3,(H,25,26)/b12-9+