[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C17H21NO3S/c1-11(2)8-9-18-15(19)10-21-17(20)16-12(3)13-6-4-5-7-14(13)22-16/h4-7,11H,8-10H2,1-3H3,(H,18,19)