[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl] ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)C

Isomeric SMILES

CCC[C@@H](C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)C

InChI

InChI=1S/C17H21NO3S/c1-4-7-11(2)18-15(19)10-21-17(20)16-12(3)13-8-5-6-9-14(13)22-16/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,18,19)/t11-/m1/s1