2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoyl-methyl-amino]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoyl-methyl-amino]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetyl]-methyl-amino]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-methylamino]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[2-[(5-acetyl-2-methoxy-benzyl)thio]acetyl]-methyl-amino]-N-(3-fluorophenyl)acetamide Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N(C)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N(C)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C21H23FN2O4S/c1-14(25)15-7-8-19(28-3)16(9-15)12-29-13-21(27)24(2)11-20(26)23-18-6-4-5-17(22)10-18/h4-10H,11-13H2,1-3H3,(H,23,26)