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

Systemtic Name: 3-[2-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(4-bromo-2-thienyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-bromo-2-thienyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3S/c18-11-9-12(24-10-11)5-6-15-19-14-4-2-1-3-13(14)17(23)20(15)8-7-16(21)22/h1-6,9-10H,7-8H2,(H,21,22)/b6-5+