2-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethyl 3-chloranylbenzoate

Systemtic Name: 2-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethyl 3-chloranylbenzoate Openeye Name: 2-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)ethyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 2-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]ethyl ester IUPAC Name: 2-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)ethyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 2-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]ethyl ester Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCOC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCOC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H15ClN2O3S/c1-9-12(13(19)18-15(17-9)22-2)6-7-21-14(20)10-4-3-5-11(16)8-10/h3-5,8H,6-7H2,1-2H3,(H,17,18,19)