4-[2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4-bromo-2-thienyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(4-bromo-2-thienyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C21H13BrN2O3S MolecularWeight: 453.30852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CC(=CS3)Br)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CS3)Br)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13BrN2O3S/c22-14-11-16(28-12-14)9-10-19-23-18-4-2-1-3-17(18)20(25)24(19)15-7-5-13(6-8-15)21(26)27/h1-12H,(H,26,27)/b10-9+