(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-oxo-1-(phenethylamino)propan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-oxo-1-(phenethylamino)propan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H29NO4S MolecularWeight: 427.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C24H29NO4S/c1-17(22(27)25-15-14-18-10-6-5-7-11-18)30-20-13-9-8-12-19(20)23(28)29-16-21(26)24(2,3)4/h5-13,17H,14-16H2,1-4H3,(H,25,27)/t17-/m0/s1