ethyl 2,8-dimethyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

Systemtic Name: ethyl 2,8-dimethyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 2,8-dimethyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 2,8-dimethyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,8-dimethyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 2,8-dimethyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C4=C(S2)C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C4=C(S2)C=C(C=C4)C)C

InChI

InChI=1S/C21H20N2O2S/c1-4-25-20(24)18-14(3)22-21-23(19(18)15-8-6-5-7-9-15)16-11-10-13(2)12-17(16)26-21/h5-12,19H,4H2,1-3H3