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

Systemtic Name: methyl 4-ethyl-2-(2-ethylhexanoylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-(2-ethylhexanoylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[(2-ethyl-1-oxohexyl)amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-(2-ethylhexanoylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-(2-ethylhexanoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H27NO3S MolecularWeight: 325.46618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO3S/c1-6-9-10-12(7-2)15(19)18-16-14(17(20)21-5)13(8-3)11(4)22-16/h12H,6-10H2,1-5H3,(H,18,19)