methyl 3-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-4-methylbenzoate Traditional Name: 3-[3-[(3,4-difluorophenyl)thio]propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H17F2NO3S MolecularWeight: 365.394286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC(=C(C=C2)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C18H17F2NO3S/c1-11-3-4-12(18(23)24-2)9-16(11)21-17(22)7-8-25-13-5-6-14(19)15(20)10-13/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)