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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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