2-[3-oxidanylidene-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]propanoic acid

Systemtic Name: 2-[3-oxidanylidene-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]propanoic acid CAS Name: 2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]propanoic acid IUPAC Name: 2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]propanoic acid Traditional Name: 2-[3-keto-7-(3-keto-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]propionic acid Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)C2=C(S1)C(=CC=C2)C3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C(=O)O)N1C(=O)C2=C(S1)C(=CC=C2)C3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C18H13N3O4S/c1-9(18(24)25)21-17(23)11-6-4-5-10(15(11)26-21)14-16(22)20-13-8-3-2-7-12(13)19-14/h2-9H,1H3,(H,20,22)(H,24,25)