[(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C(=O)NNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-12-15-10-6-7-11-16(15)27-17(12)20(25)26-13(2)18(23)21-22-19(24)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1