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

Systemtic Name: butyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)ethanoate Openeye Name: butyl 2-(2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)acetate CAS Name: 2-(2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)acetic acid butyl ester IUPAC Name: butyl 2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetate Traditional Name: 2-(2-keto-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)acetic acid butyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)CC1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S/c1-2-3-11-27-21(26)13-15-9-10-17-19(12-15)28-22-23-20(25)14-18(24(17)22)16-7-5-4-6-8-16/h4-10,12,14H,2-3,11,13H2,1H3