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

Systemtic Name: butyl 2-(2-ethylhexanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-(2-ethylhexanoylamino)benzothiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-(2-ethylhexanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)benzothiophene-3-carboxylic acid butyl ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S/c1-4-7-11-15(6-3)19(23)22-20-18(21(24)25-14-8-5-2)16-12-9-10-13-17(16)26-20/h9-10,12-13,15H,4-8,11,14H2,1-3H3,(H,22,23)