3-[2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(5-methyl-2-thienyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(5-methyl-2-thiophenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[4-keto-2-[(E)-2-(5-methyl-2-thienyl)vinyl]quinazolin-3-yl]propionic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

Isomeric SMILES

CC1=CC=C(S1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

InChI

InChI=1S/C18H16N2O3S/c1-12-6-7-13(24-12)8-9-16-19-15-5-3-2-4-14(15)18(23)20(16)11-10-17(21)22/h2-9H,10-11H2,1H3,(H,21,22)/b9-8+