3-(4-fluoranylphenoxy)propyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: 3-(4-fluorophenoxy)propyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid 3-(4-fluorophenoxy)propyl ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCCCOC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO4S/c1-15(2)23-20(24)14-28-19-7-4-3-6-18(19)21(25)27-13-5-12-26-17-10-8-16(22)9-11-17/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,23,24)