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

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 3-(4-fluorophenoxy)propyl 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzoic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoic acid 3-(4-fluorophenoxy)propyl ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=CC=CC=C2C(=O)OCCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1CC1NC(=O)CSC2=CC=CC=C2C(=O)OCCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO4S/c22-15-6-10-17(11-7-15)26-12-3-13-27-21(25)18-4-1-2-5-19(18)28-14-20(24)23-16-8-9-16/h1-2,4-7,10-11,16H,3,8-9,12-14H2,(H,23,24)