2-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanylbenzoate Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thio]benzoate IUPAC Name: 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoate Traditional Name: 2-[(2-keto-2-mesidino-ethyl)thio]benzoate Formula: C18H18NO3S- MolecularWeight: 328.40542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=CC=CC=C2C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=CC=CC=C2C(=O)[O-])C

InChI

InChI=1S/C18H19NO3S/c1-11-8-12(2)17(13(3)9-11)19-16(20)10-23-15-7-5-4-6-14(15)18(21)22/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)/p-1