4-(dimethylcarbamothioyloxy)-3-fluoranyl-2-[(2-methylphenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 4-(dimethylcarbamothioyloxy)-3-fluoranyl-2-[(2-methylphenyl)amino]-5-nitro-benzoic acid Openeye Name: 4-(dimethylcarbamothioyloxy)-3-fluoro-2-(2-methylanilino)-5-nitro-benzoic acid CAS Name: 4-[dimethylamino(sulfanylidene)methoxy]-3-fluoro-2-(2-methylanilino)-5-nitrobenzoic acid IUPAC Name: 4-(dimethylcarbamothioyloxy)-3-fluoro-2-(2-methylanilino)-5-nitrobenzoic acid Traditional Name: 4-(dimethylthiocarbamoyloxy)-3-fluoro-5-nitro-2-(o-toluidino)benzoic acid Formula: C17H16FN3O5S MolecularWeight: 393.389443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=C(C=C2C(=O)O)[N+](=O)[O-])OC(=S)N(C)C)F

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=C(C=C2C(=O)O)[N+](=O)[O-])OC(=S)N(C)C)F

InChI

InChI=1S/C17H16FN3O5S/c1-9-6-4-5-7-11(9)19-14-10(16(22)23)8-12(21(24)25)15(13(14)18)26-17(27)20(2)3/h4-8,19H,1-3H3,(H,22,23)