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

Systemtic Name: ethyl 3-[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[2-[(2-chlorophenyl)methylthio]-4-methyl-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[2-[(2-chlorobenzyl)thio]-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C

InChI

InChI=1S/C23H22ClN3O4S/c1-3-31-22(30)16-8-6-9-18(12-16)26-20(28)13-27-21(29)11-15(2)25-23(27)32-14-17-7-4-5-10-19(17)24/h4-12H,3,13-14H2,1-2H3,(H,26,28)