methyl 5-(butanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-(butanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-(butanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxobutylamino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(butanoylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-butyramido-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C(=O)OC)C)C#N

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C(=O)OC)C)C#N

InChI

InChI=1S/C12H14N2O3S/c1-4-5-9(15)14-11-8(6-13)7(2)10(18-11)12(16)17-3/h4-5H2,1-3H3,(H,14,15)