3-(dimethylaminomethylideneamino)-4-(4-fluorophenyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-(dimethylaminomethylideneamino)-4-(4-fluorophenyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-(dimethylaminomethyleneamino)-4-(4-fluorophenyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-(dimethylaminomethylideneamino)-4-(4-fluorophenyl)-6-methyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-(dimethylaminomethylideneamino)-4-(4-fluorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-(dimethylaminomethyleneamino)-4-(4-fluorophenyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C3=CC=C(C=C3)F)C(=C(S2)C(=O)O)N=CN(C)C

Isomeric SMILES

CC1=NC2=C(C(=C1)C3=CC=C(C=C3)F)C(=C(S2)C(=O)O)N=CN(C)C

InChI

InChI=1S/C18H16FN3O2S/c1-10-8-13(11-4-6-12(19)7-5-11)14-15(20-9-22(2)3)16(18(23)24)25-17(14)21-10/h4-9H,1-3H3,(H,23,24)