4-[(E)-(2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-(2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CS2)C(=O)N1N=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=CS2)C(=O)N1/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H11N3O3S/c1-9-17-13-12(6-7-22-13)14(19)18(9)16-8-10-2-4-11(5-3-10)15(20)21/h2-8H,1H3,(H,20,21)/b16-8+