(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C20H15N3O3S2/c24-19-9-15(22-18-3-1-2-8-23(18)19)10-26-20(25)14-4-6-17(7-5-14)28-12-16-11-27-13-21-16/h1-9,11,13H,10,12H2