[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)OC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C21H19NO3S/c1-13(20(23)22-12-16-5-3-11-26-16)25-21(24)18-10-9-15-8-7-14-4-2-6-17(18)19(14)15/h2-6,9-11,13H,7-8,12H2,1H3,(H,22,23)/t13-/m0/s1