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

Systemtic Name: methyl 2-[[(E)-3-(5-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H16BrN3O4S2 MolecularWeight: 482.37134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(S2)Br)C#N)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=C(S2)Br)/C#N)C(=O)N(C)C

InChI

InChI=1S/C18H16BrN3O4S2/c1-9-13(18(25)26-4)16(28-14(9)17(24)22(2)3)21-15(23)10(8-20)7-11-5-6-12(19)27-11/h5-7H,1-4H3,(H,21,23)/b10-7+