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

Systemtic Name: methyl 4-[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(2-chlorophenyl)methylthio]-4-methyl-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(2-chlorobenzyl)thio]-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H20ClN3O4S/c1-14-11-20(28)26(22(24-14)31-13-16-5-3-4-6-18(16)23)12-19(27)25-17-9-7-15(8-10-17)21(29)30-2/h3-11H,12-13H2,1-2H3,(H,25,27)