2-[(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H20N2O3S/c1-12(24-16-7-5-4-6-15(16)18(22)23)17(21)19-13-8-10-14(11-9-13)20(2)3/h4-12H,1-3H3,(H,19,21)(H,22,23)/t12-/m0/s1