3-[(2-oxidanylidenepyrimidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(2-oxidanylidenepyrimidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(2-oxopyrimidin-1-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[(2-oxo-1-pyrimidinyl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(2-oxopyrimidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(2-ketopyrimidin-1-yl)methyl]benzothiophene-2-carboxylic acid Formula: C14H10N2O3S MolecularWeight: 286.3058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C=CC=NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C=CC=NC3=O

InChI

InChI=1S/C14H10N2O3S/c17-13(18)12-10(8-16-7-3-6-15-14(16)19)9-4-1-2-5-11(9)20-12/h1-7H,8H2,(H,17,18)