ethyl 2-(4-butyl-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-8-yl)ethanoate

Systemtic Name: ethyl 2-(4-butyl-2-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazol-8-yl)ethanoate Openeye Name: ethyl 2-(4-butyl-2-oxo-pyrimido[2,1-b][1,3]benzothiazol-8-yl)acetate CAS Name: 2-(4-butyl-2-oxo-8-pyrimido[2,1-b][1,3]benzothiazolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-butyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-8-yl)acetate Traditional Name: 2-(4-butyl-2-keto-pyrimido[2,1-b][1,3]benzothiazol-8-yl)acetic acid ethyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C2N1C3=C(S2)C=C(C=C3)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC(=O)N=C2N1C3=C(S2)C=C(C=C3)CC(=O)OCC

InChI

InChI=1S/C18H20N2O3S/c1-3-5-6-13-11-16(21)19-18-20(13)14-8-7-12(9-15(14)24-18)10-17(22)23-4-2/h7-9,11H,3-6,10H2,1-2H3