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

Systemtic Name: 3-azanyl-6-methyl-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-methyl-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-methyl-4-(4-methylsulfonylphenyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-methyl-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-(4-mesylphenyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S2/c1-8-7-11(9-3-5-10(6-4-9)24(2,21)22)12-13(17)14(16(19)20)23-15(12)18-8/h3-7H,17H2,1-2H3,(H,19,20)