[2-(hexylamino)-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C17H21NO3S/c1-2-3-4-7-10-18-16(19)12-21-17(20)15-11-13-8-5-6-9-14(13)22-15/h5-6,8-9,11H,2-4,7,10,12H2,1H3,(H,18,19)