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

Systemtic Name: methyl 3-methyl-2-[3-oxidanylidene-7-(3-oxidanylidene-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]butanoate Openeye Name: methyl 3-methyl-2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]butanoate CAS Name: 3-methyl-2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[3-oxo-7-(3-oxo-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]butanoate Traditional Name: 2-[3-keto-7-(3-keto-4H-quinoxalin-2-yl)-1,2-benzothiazol-2-yl]-3-methyl-butyric acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-11(2)17(21(27)28-3)24-20(26)13-8-6-7-12(18(13)29-24)16-19(25)23-15-10-5-4-9-14(15)22-16/h4-11,17H,1-3H3,(H,23,25)