(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2

InChI

InChI=1S/C18H13N3O3S2/c1-25-16-12(5-4-8-19-16)17(23)24-10-11-9-15(22)21-13-6-2-3-7-14(13)26-18(21)20-11/h2-9H,10H2,1H3