ethyl 4-[2-[[5-(3-chloranyl-4-methyl-phenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-(3-chloranyl-4-methyl-phenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-(3-chloro-4-methyl-phenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(3-chloro-4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(3-chloro-4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(3-chloro-4-methyl-phenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H20ClN3O6S2 MolecularWeight: 521.9937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H20ClN3O6S2/c1-3-32-21(29)14-5-7-15(8-6-14)25-19(27)12-33-22-24-11-18(20(28)26-22)34(30,31)16-9-4-13(2)17(23)10-16/h4-11H,3,12H2,1-2H3,(H,25,27)(H,24,26,28)