(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chloranyl-2-oxidanyl-benzoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-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-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C18H11ClN2O4S MolecularWeight: 386.80894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClN2O4S/c19-10-5-6-12(14(22)7-10)17(24)25-9-11-8-16(23)21-13-3-1-2-4-15(13)26-18(21)20-11/h1-8,22H,9H2