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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23FN2O4S/c1-29-12-11-18(24-20(26)16-5-3-2-4-6-16)21(27)28-14-19(25)23-13-15-7-9-17(22)10-8-15/h2-10,18H,11-14H2,1H3,(H,23,25)(H,24,26)