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

Systemtic Name: methyl 5-aminocarbonyl-2-[[(E)-3-(5-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-thienyl)-2-cyano-prop-2-enoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)-2-cyano-acryloyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H12BrN3O4S2 MolecularWeight: 454.31818

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O4S2/c1-7-11(16(23)24-2)15(26-12(7)13(19)21)20-14(22)8(6-18)5-9-3-4-10(17)25-9/h3-5H,1-2H3,(H2,19,21)(H,20,22)/b8-5+