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

Systemtic Name: ethyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)pentanoate Openeye Name: ethyl 2-(2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)pentanoate CAS Name: 2-(2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)pentanoate Traditional Name: 2-(2-keto-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)valeric acid ethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C23H22N2O3S/c1-3-8-17(22(27)28-4-2)16-11-12-18-20(13-16)29-23-24-21(26)14-19(25(18)23)15-9-6-5-7-10-15/h5-7,9-14,17H,3-4,8H2,1-2H3