2-(8-methyl-2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid

Systemtic Name: 2-(8-methyl-2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid Openeye Name: 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid CAS Name: 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid IUPAC Name: 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid Traditional Name: 2-(2-hydroxy-4-keto-8-methyl-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(N=C2N(C1=O)C3=C(S2)C=C(C=C3)C)O)C(=O)O

Isomeric SMILES

CCCCC(C1C(N=C2N(C1=O)C3=C(S2)C=C(C=C3)C)O)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-3-4-5-10(16(22)23)13-14(20)18-17-19(15(13)21)11-7-6-9(2)8-12(11)24-17/h6-8,10,13-14,20H,3-5H2,1-2H3,(H,22,23)