ethyl 3-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]-1-(4-fluorophenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-6-carboxylate

Systemtic Name: ethyl 3-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]-1-(4-fluorophenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-6-carboxylate Openeye Name: ethyl 3-[(3-chloro-4-methoxy-phenyl)carbamoyl]-1-(4-fluorophenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-6-carboxylate CAS Name: 3-[(3-chloro-4-methoxyanilino)-oxomethyl]-1-(4-fluorophenyl)-2-mercapto-6-imidazo[1,2-a]pyridin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-(4-fluorophenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-6-carboxylate Traditional Name: 3-[(3-chloro-4-methoxy-phenyl)carbamoyl]-1-(4-fluorophenyl)-2-mercapto-imidazo[1,2-a]pyridin-4-ium-6-carboxylic acid ethyl ester Formula: C24H20ClFN3O4S+ MolecularWeight: 500.949703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+]2=C(C=C1)N(C(=C2C(=O)NC3=CC(=C(C=C3)OC)Cl)S)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C[N+]2=C(C=C1)N(C(=C2C(=O)NC3=CC(=C(C=C3)OC)Cl)S)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H19ClFN3O4S/c1-3-33-24(31)14-4-11-20-28(13-14)21(23(34)29(20)17-8-5-15(26)6-9-17)22(30)27-16-7-10-19(32-2)18(25)12-16/h4-13H,3H2,1-2H3,(H-,27,30,34)/p+1