methyl 3-[2-[(5-fluoranyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(5-fluoranyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(5-fluoro-2-methoxy-phenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-fluoro-2-methoxyphenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-fluoro-2-methoxy-benzyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H20FNO4S MolecularWeight: 377.429803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C19H20FNO4S/c1-12-4-5-13(19(23)25-3)9-16(12)21-18(22)11-26-10-14-8-15(20)6-7-17(14)24-2/h4-9H,10-11H2,1-3H3,(H,21,22)