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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CSC2=C1CCCC2

InChI

InChI=1S/C16H23NO3S/c1-10(2)8-17-15(18)11(3)20-16(19)13-9-21-14-7-5-4-6-12(13)14/h9-11H,4-8H2,1-3H3,(H,17,18)/t11-/m0/s1