[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C20H20FNO3S MolecularWeight: 373.441103

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OC(C2=CC=C(C=C2)F)C(=O)NC3CC3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OC(C2=CC=C(C=C2)F)C(=O)NC3CC3

InChI

InChI=1S/C20H20FNO3S/c1-2-26-17-6-4-3-5-16(17)20(24)25-18(19(23)22-15-11-12-15)13-7-9-14(21)10-8-13/h3-10,15,18H,2,11-12H2,1H3,(H,22,23)