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

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]sulfanylmethyl]-3-methyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 4-[(2,6-dichlorophenyl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 4-[[(2,6-dichlorophenyl)thio]methyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid IUPAC Name: 4-[(2,6-dichlorophenyl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 4-[[(2,6-dichlorophenyl)thio]methyl]-6-keto-3-methyl-7H-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H11Cl2NO3S2 MolecularWeight: 400.29944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=C(C=CC=C3Cl)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=C(C=CC=C3Cl)Cl)C(=O)O

InChI

InChI=1S/C16H11Cl2NO3S2/c1-7-12-8(6-23-14-9(17)3-2-4-10(14)18)5-11(20)19-15(12)24-13(7)16(21)22/h2-5H,6H2,1H3,(H,19,20)(H,21,22)