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

Systemtic Name: ethyl 4-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[(2-chloro-6-fluorophenyl)methylthio]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[(2-chloro-6-fluoro-benzyl)thio]acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C19H19ClFNO3S MolecularWeight: 395.875463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C19H19ClFNO3S/c1-3-25-19(24)13-7-8-17(12(2)9-13)22-18(23)11-26-10-14-15(20)5-4-6-16(14)21/h4-9H,3,10-11H2,1-2H3,(H,22,23)