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

Systemtic Name: 3-methyl-2-[3-oxidanylidene-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]butanoic acid Openeye Name: 3-methyl-2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]butanoic acid CAS Name: 3-methyl-2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]butanoic acid IUPAC Name: 3-methyl-2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]butanoic acid Traditional Name: 2-[3-keto-7-(3-keto-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]-3-methyl-butyric acid Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-10(2)16(20(26)27)23-19(25)12-7-5-6-11(17(12)28-23)15-18(24)22-14-9-4-3-8-13(14)21-15/h3-10,16H,1-2H3,(H,22,24)(H,26,27)