methyl 3-[2-[(3-fluorophenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3-fluorophenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(3-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(3-fluorophenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3-fluorobenzyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO3S/c1-12-6-7-14(18(22)23-2)9-16(12)20-17(21)11-24-10-13-4-3-5-15(19)8-13/h3-9H,10-11H2,1-2H3,(H,20,21)