(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H16ClN3O5S MolecularWeight: 481.90824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H16ClN3O5S/c1-14-8-9-26-21(10-14)25-16(11-22(26)28)13-32-23(29)19-12-17(27(30)31)4-7-20(19)33-18-5-2-15(24)3-6-18/h2-12H,13H2,1H3