3-[2-(6-chloranyl-4-phenyl-quinazolin-2-yl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-(6-chloranyl-4-phenyl-quinazolin-2-yl)sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(6-chloro-4-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-[[2-[(6-chloro-4-phenyl-2-quinazolinyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-[(6-chloro-4-phenyl-quinazolin-2-yl)thio]acetyl]amino]propionic acid Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)SCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)SCC(=O)NCCC(=O)O

InChI

InChI=1S/C19H16ClN3O3S/c20-13-6-7-15-14(10-13)18(12-4-2-1-3-5-12)23-19(22-15)27-11-16(24)21-9-8-17(25)26/h1-7,10H,8-9,11H2,(H,21,24)(H,25,26)