ethyl 2-[[(E)-3-(5-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(5-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(5-bromo-2-thienyl)-2-cyano-prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)-2-cyano-acryloyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18BrN3O4S2 MolecularWeight: 496.39792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(=CC2=CC=C(S2)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)/C(=C/C2=CC=C(S2)Br)/C#N

InChI

InChI=1S/C19H18BrN3O4S2/c1-5-27-19(26)14-10(2)15(18(25)23(3)4)29-17(14)22-16(24)11(9-21)8-12-6-7-13(20)28-12/h6-8H,5H2,1-4H3,(H,22,24)/b11-8+