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

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-oxidanylbenzoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic 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-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C18H12N2O4S/c21-13-7-5-11(6-8-13)17(23)24-10-12-9-16(22)20-14-3-1-2-4-15(14)25-18(20)19-12/h1-9,21H,10H2