[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC2=CC=CC=C2S1

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C18H23NO3S/c1-3-4-5-8-13(2)19-17(20)12-22-18(21)16-11-14-9-6-7-10-15(14)23-16/h6-7,9-11,13H,3-5,8,12H2,1-2H3,(H,19,20)/t13-/m0/s1