[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC(C1=CC=C(C=C1)F)C(=O)NC2CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OC(C1=CC=C(C=C1)F)C(=O)NC2CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25FN2O4S/c1-31-14-13-19(26-21(27)16-5-3-2-4-6-16)23(29)30-20(22(28)25-18-11-12-18)15-7-9-17(24)10-8-15/h2-10,18-20H,11-14H2,1H3,(H,25,28)(H,26,27)