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

Systemtic Name: ethyl 5-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=C(C=CC(=C2)Br)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC)C#N)C

InChI

InChI=1S/C19H17BrN2O4S/c1-4-26-19(24)17-11(2)14(10-21)18(27-17)22-16(23)8-5-12-9-13(20)6-7-15(12)25-3/h5-9H,4H2,1-3H3,(H,22,23)/b8-5+