[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3S/c1-12(2)8-9-13(3)19-17(20)11-22-18(21)16-10-14-6-4-5-7-15(14)23-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,19,20)/t13-/m0/s1