3-[7-chloranyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[7-chloranyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[7-chloro-2-[(2-methylthiazol-4-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[7-chloro-2-[(2-methyl-4-thiazolyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[7-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[7-chloro-4-keto-2-[(2-methylthiazol-4-yl)methylthio]quinazolin-3-yl]propionic acid Formula: C16H14ClN3O3S2 MolecularWeight: 395.88366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(=O)O

InChI

InChI=1S/C16H14ClN3O3S2/c1-9-18-11(7-24-9)8-25-16-19-13-6-10(17)2-3-12(13)15(23)20(16)5-4-14(21)22/h2-3,6-7H,4-5,8H2,1H3,(H,21,22)