5-[[(E)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-cyano-N-ethyl-3-methyl-thiophene-2-carboxamide

Systemtic Name: 5-[[(E)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-cyano-N-ethyl-3-methyl-thiophene-2-carboxamide Openeye Name: 5-[[(E)-3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-cyano-N-ethyl-3-methyl-thiophene-2-carboxamide CAS Name: 5-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-cyano-N-ethyl-3-methyl-2-thiophenecarboxamide IUPAC Name: 5-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide Traditional Name: 5-[[(E)-3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-acryloyl]amino]-4-cyano-N-ethyl-3-methyl-thiophene-2-carboxamide Formula: C21H19BrN4O4S MolecularWeight: 503.36896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O4S/c1-5-25-20(28)18-11(2)14(10-24)21(31-18)26-19(27)13(9-23)6-12-7-15(22)17(30-4)16(8-12)29-3/h6-8H,5H2,1-4H3,(H,25,28)(H,26,27)/b13-6+