methyl 2-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(3,4-difluorophenyl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C15H19F2NO3S MolecularWeight: 331.378066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C15H19F2NO3S/c1-4-9(2)14(15(20)21-3)18-13(19)8-22-10-5-6-11(16)12(17)7-10/h5-7,9,14H,4,8H2,1-3H3,(H,18,19)