2-[(E)-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid

Systemtic Name: 2-[(E)-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Openeye Name: 2-[(E)-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid CAS Name: 2-[(E)-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)iminomethyl]benzoic acid IUPAC Name: 2-[(E)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Traditional Name: 2-[(E)-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Formula: C20H13N3O3S MolecularWeight: 375.40052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)N=CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)/N=C/C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H13N3O3S/c24-19-17-16(13-6-2-1-3-7-13)11-27-18(17)21-12-23(19)22-10-14-8-4-5-9-15(14)20(25)26/h1-12H,(H,25,26)/b22-10+