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

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-butoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-butoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-butoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC

InChI

InChI=1S/C20H19BrN2O4S/c1-3-4-8-27-17-6-5-15(21)11-13(17)10-14(12-22)18(24)23-19-16(7-9-28-19)20(25)26-2/h5-7,9-11H,3-4,8H2,1-2H3,(H,23,24)/b14-10+