3-[6,7-bis(chloranyl)-3-propan-2-yl-quinoxalin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[6,7-bis(chloranyl)-3-propan-2-yl-quinoxalin-2-yl]sulfanylpropanoic acid Openeye Name: 3-(6,7-dichloro-3-isopropyl-quinoxalin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(6,7-dichloro-3-propan-2-yl-2-quinoxalinyl)thio]propanoic acid IUPAC Name: 3-(6,7-dichloro-3-propan-2-ylquinoxalin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(6,7-dichloro-3-isopropyl-quinoxalin-2-yl)thio]propionic acid Formula: C14H14Cl2N2O2S MolecularWeight: 345.24416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC(=C(C=C2N=C1SCCC(=O)O)Cl)Cl

Isomeric SMILES

CC(C)C1=NC2=CC(=C(C=C2N=C1SCCC(=O)O)Cl)Cl

InChI

InChI=1S/C14H14Cl2N2O2S/c1-7(2)13-14(21-4-3-12(19)20)18-11-6-9(16)8(15)5-10(11)17-13/h5-7H,3-4H2,1-2H3,(H,19,20)