methyl 5-azanyl-3-fluoranyl-2-[(2-methylphenyl)amino]-4-sulfanyl-benzoate

Systemtic Name: methyl 5-azanyl-3-fluoranyl-2-[(2-methylphenyl)amino]-4-sulfanyl-benzoate Openeye Name: methyl 5-amino-3-fluoro-2-(2-methylanilino)-4-sulfanyl-benzoate CAS Name: 5-amino-3-fluoro-4-mercapto-2-(2-methylanilino)benzoic acid methyl ester IUPAC Name: methyl 5-amino-3-fluoro-2-(2-methylanilino)-4-sulfanylbenzoate Traditional Name: 5-amino-3-fluoro-4-mercapto-2-(o-toluidino)benzoic acid methyl ester Formula: C15H15FN2O2S MolecularWeight: 306.355203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=C(C=C2C(=O)OC)N)S)F

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=C(C=C2C(=O)OC)N)S)F

InChI

InChI=1S/C15H15FN2O2S/c1-8-5-3-4-6-11(8)18-13-9(15(19)20-2)7-10(17)14(21)12(13)16/h3-7,18,21H,17H2,1-2H3