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

Systemtic Name: methyl 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(2-ethyl-1-oxohexyl)amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-(2-ethylhexanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OC)C)C#N

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OC)C)C#N

InChI

InChI=1S/C16H22N2O3S/c1-5-7-8-11(6-2)14(19)18-15-12(9-17)10(3)13(22-15)16(20)21-4/h11H,5-8H2,1-4H3,(H,18,19)