(4-oxidanylidene-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4-dimethoxybenzoate

Systemtic Name: (4-oxidanylidene-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4-dimethoxybenzoate Openeye Name: (4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid (4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester IUPAC Name: (4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (4-keto-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C4=C(CCCC4)SC3=N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C4=C(CCCC4)SC3=N2)OC

InChI

InChI=1S/C20H20N2O5S/c1-25-15-8-7-12(9-16(15)26-2)19(24)27-11-13-10-18(23)22-14-5-3-4-6-17(14)28-20(22)21-13/h7-10H,3-6,11H2,1-2H3