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

Systemtic Name: 2-(2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid Openeye Name: 2-(2-hydroxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid CAS Name: 2-(2-hydroxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid IUPAC Name: 2-(2-hydroxy-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid Traditional Name: 2-(2-hydroxy-4-keto-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(N=C2N(C1=O)C3=CC=CC=C3S2)O)C(=O)O

Isomeric SMILES

CCCCC(C1C(N=C2N(C1=O)C3=CC=CC=C3S2)O)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-2-3-6-9(15(21)22)12-13(19)17-16-18(14(12)20)10-7-4-5-8-11(10)23-16/h4-5,7-9,12-13,19H,2-3,6H2,1H3,(H,21,22)