methyl 4-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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