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

Systemtic Name: ethyl 2-[(2-bromanyl-3-phenyl-prop-2-enoyl)amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-bromo-3-phenyl-prop-2-enoyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[(2-bromo-1-oxo-3-phenylprop-2-enyl)amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromo-3-phenylprop-2-enoyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-bromo-3-phenyl-acryloyl)amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H18BrNO3S MolecularWeight: 456.35222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO3S/c1-2-27-22(26)17-14-19(16-11-7-4-8-12-16)28-21(17)24-20(25)18(23)13-15-9-5-3-6-10-15/h3-14H,2H2,1H3,(H,24,25)