propan-2-yl 4-azanyl-3-(4-fluorophenyl)-2-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-6-carboxylate

Systemtic Name: propan-2-yl 4-azanyl-3-(4-fluorophenyl)-2-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-6-carboxylate Openeye Name: isopropyl 4-amino-3-(4-fluorophenyl)-2-(2-thienyl)thieno[2,3-b]pyridin-7-ium-6-carboxylate CAS Name: 4-amino-3-(4-fluorophenyl)-2-thiophen-2-yl-6-thieno[2,3-b]pyridin-7-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-amino-3-(4-fluorophenyl)-2-thiophen-2-ylthieno[2,3-b]pyridin-7-ium-6-carboxylate Traditional Name: 4-amino-3-(4-fluorophenyl)-2-(2-thienyl)thieno[2,3-b]pyridin-7-ium-6-carboxylic acid isopropyl ester Formula: C21H18FN2O2S2+ MolecularWeight: 413.508223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=[NH+]C2=C(C(=C1)N)C(=C(S2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)OC(=O)C1=[NH+]C2=C(C(=C1)N)C(=C(S2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN2O2S2/c1-11(2)26-21(25)15-10-14(23)18-17(12-5-7-13(22)8-6-12)19(28-20(18)24-15)16-4-3-9-27-16/h3-11H,1-2H3,(H2,23,24)/p+1