[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CSC2=C1CCCC2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CSC2=C1CCCC2

InChI

InChI=1S/C15H21NO3S/c1-10(2)7-16-14(17)8-19-15(18)12-9-20-13-6-4-3-5-11(12)13/h9-10H,3-8H2,1-2H3,(H,16,17)