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

Systemtic Name: methyl 2-(8-methyl-2-oxidanyl-4-oxidanylidene-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Openeye Name: methyl 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate CAS Name: 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid methyl ester IUPAC Name: methyl 2-(2-hydroxy-8-methyl-4-oxo-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoate Traditional Name: 2-(2-hydroxy-4-keto-8-methyl-2,3-dihydropyrimido[2,1-b][1,3]benzothiazol-3-yl)hexanoic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-4-5-6-11(17(23)24-3)14-15(21)19-18-20(16(14)22)12-8-7-10(2)9-13(12)25-18/h7-9,11,14-15,21H,4-6H2,1-3H3