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

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-pentoxybenzoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2

InChI

InChI=1S/C23H22N2O4S/c1-2-3-6-13-28-18-11-9-16(10-12-18)22(27)29-15-17-14-21(26)25-19-7-4-5-8-20(19)30-23(25)24-17/h4-5,7-12,14H,2-3,6,13,15H2,1H3