methyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-pyrimidin-1-yl]methyl]benzoate CAS Name: 4-[[2-[(2-chlorophenyl)methylthio]-4-methyl-6-oxo-1-pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxopyrimidin-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(2-chlorobenzyl)thio]-6-keto-4-methyl-pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2Cl)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2Cl)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19ClN2O3S/c1-14-11-19(25)24(12-15-7-9-16(10-8-15)20(26)27-2)21(23-14)28-13-17-5-3-4-6-18(17)22/h3-11H,12-13H2,1-2H3