methyl 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(2-chloro-6-fluorophenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2-chloro-6-fluoro-benzyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H17ClFNO3S MolecularWeight: 381.848883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H17ClFNO3S/c1-11-6-7-12(18(23)24-2)8-16(11)21-17(22)10-25-9-13-14(19)4-3-5-15(13)20/h3-8H,9-10H2,1-2H3,(H,21,22)