4-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 4-[[(3-chloro-4-fluorophenyl)thio]methyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid IUPAC Name: 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 4-[[(3-chloro-4-fluoro-phenyl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H11ClFNO3S2 MolecularWeight: 383.844843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=CC(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C16H11ClFNO3S2/c1-7-13-8(6-23-9-2-3-11(18)10(17)5-9)4-12(20)19-15(13)24-14(7)16(21)22/h2-5H,6H2,1H3,(H,19,20)(H,21,22)