ethyl 5-[(2-bromanyl-3-methyl-butanoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(2-bromanyl-3-methyl-butanoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-bromo-3-methyl-butanoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2-bromo-3-methyl-1-oxobutyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-bromo-3-methylbutanoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-bromo-3-methyl-butanoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C14H17BrN2O3S MolecularWeight: 373.26538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C(C)C)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C(C)C)Br)C#N)C

InChI

InChI=1S/C14H17BrN2O3S/c1-5-20-14(19)11-8(4)9(6-16)13(21-11)17-12(18)10(15)7(2)3/h7,10H,5H2,1-4H3,(H,17,18)