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

Systemtic Name: butyl 2-(3-methylbutanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-(3-methylbutanoylamino)benzothiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-(3-methylbutanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)benzothiophene-3-carboxylic acid butyl ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC(C)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC(C)C

InChI

InChI=1S/C18H23NO3S/c1-4-5-10-22-18(21)16-13-8-6-7-9-14(13)23-17(16)19-15(20)11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20)