2-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(N-isopropylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(N-isopropylanilino)-2-keto-ethyl]thio]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO3S/c1-13(2)19(14-8-4-3-5-9-14)17(20)12-23-16-11-7-6-10-15(16)18(21)22/h3-11,13H,12H2,1-2H3,(H,21,22)