4-[4-oxidanylidene-2-[(E)-2-thiophen-3-ylethenyl]quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[4-oxidanylidene-2-[(E)-2-thiophen-3-ylethenyl]quinazolin-3-yl]benzoic acid Openeye Name: 4-[4-oxo-2-[(E)-2-(3-thienyl)vinyl]quinazolin-3-yl]benzoic acid CAS Name: 4-[4-oxo-2-[(E)-2-(3-thiophenyl)ethenyl]-3-quinazolinyl]benzoic acid IUPAC Name: 4-[4-oxo-2-[(E)-2-thiophen-3-ylethenyl]quinazolin-3-yl]benzoic acid Traditional Name: 4-[4-keto-2-[(E)-2-(3-thienyl)vinyl]quinazolin-3-yl]benzoic acid Formula: C21H14N2O3S MolecularWeight: 374.41246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CSC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CSC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14N2O3S/c24-20-17-3-1-2-4-18(17)22-19(10-5-14-11-12-27-13-14)23(20)16-8-6-15(7-9-16)21(25)26/h1-13H,(H,25,26)/b10-5+