(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4)C=C1

InChI

InChI=1S/C25H19N3O3S2/c1-16-6-11-22-26-19(12-23(29)28(22)13-16)14-31-24(30)18-9-7-17(8-10-18)15-32-25-27-20-4-2-3-5-21(20)33-25/h2-13H,14-15H2,1H3