methyl 2-(2-ethylhexanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-ethylhexanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-ethylhexanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3S/c1-6-8-9-12(7-2)14(18)17-15-13(16(19)20-5)10(3)11(4)21-15/h12H,6-9H2,1-5H3,(H,17,18)