2-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-oxo-1-(phenethylamino)propan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-oxo-1-(phenethylamino)propan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl]thio]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-13(23-16-10-6-5-9-15(16)18(21)22)17(20)19-12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,20)(H,21,22)/t13-/m0/s1