3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dioxopyrimidin-1-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[(2,4-dioxo-1-pyrimidinyl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(2,4-dioxopyrimidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(2,4-diketopyrimidin-1-yl)methyl]benzothiophene-2-carboxylic acid Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O4S/c17-11-5-6-16(14(20)15-11)7-9-8-3-1-2-4-10(8)21-12(9)13(18)19/h1-6H,7H2,(H,18,19)(H,15,17,20)