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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-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=CC2=C(S1)CCCC2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC2=C(S1)CCCC2

InChI

InChI=1S/C15H21NO3S/c1-10(2)8-16-14(17)9-19-15(18)13-7-11-5-3-4-6-12(11)20-13/h7,10H,3-6,8-9H2,1-2H3,(H,16,17)