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

Systemtic Name: 3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid; ethanoic acid Openeye Name: acetic acid; 3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: acetic acid; 3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: acetic acid; 3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: acetic acid; 3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)O)N.CC(=O)O

Isomeric SMILES

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)O)N.CC(=O)O

InChI

InChI=1S/C11H12N2O3S.C2H4O2/c1-5-3-6(4-16-2)7-8(12)9(11(14)15)17-10(7)13-5;1-2(3)4/h3H,4,12H2,1-2H3,(H,14,15);1H3,(H,3,4)