(4-ethanoylphenyl) 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (4-ethanoylphenyl) 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (4-acetylphenyl) 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (4-acetylphenyl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H21NO4S/c1-13(2)21-19(23)12-26-18-7-5-4-6-17(18)20(24)25-16-10-8-15(9-11-16)14(3)22/h4-11,13H,12H2,1-3H3,(H,21,23)