(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C18H15ClN2O3S/c1-11-4-3-5-16-20-12(8-17(22)21(11)16)10-24-18(23)14-9-13(25-2)6-7-15(14)19/h3-9H,10H2,1-2H3