2-[(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid

Systemtic Name: 2-[(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid Openeye Name: 2-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid CAS Name: 2-[(4-oxo-3-thieno[3,2-d]pyrimidinyl)methyl]benzoic acid IUPAC Name: 2-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 2-[(4-ketothieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)SC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)SC=C3)C(=O)O

InChI

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