ethyl 2-(2-ethylhexanoylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-ethylhexanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-ethylhexanoylamino)benzothiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethylhexanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)benzothiophene-3-carboxylic acid ethyl ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C2=CC=CC=C2S1)C(=O)OCC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C2=CC=CC=C2S1)C(=O)OCC

InChI

InChI=1S/C19H25NO3S/c1-4-7-10-13(5-2)17(21)20-18-16(19(22)23-6-3)14-11-8-9-12-15(14)24-18/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21)