ethyl 2-(2-ethylhexanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-ethylhexanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2-ethylhexanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethylhexanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H27NO3S/c1-4-7-11-15(5-2)19(23)22-20-18(21(24)25-6-3)17(14-26-20)16-12-9-8-10-13-16/h8-10,12-15H,4-7,11H2,1-3H3,(H,22,23)