ethyl 4-[2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-(4-methylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[6-oxo-5-(p-tolylsulfonyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(4-methylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-keto-5-tosyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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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

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

InChI

InChI=1S/C22H21N3O6S2/c1-3-31-21(28)15-6-8-16(9-7-15)24-19(26)13-32-22-23-12-18(20(27)25-22)33(29,30)17-10-4-14(2)5-11-17/h4-12H,3,13H2,1-2H3,(H,24,26)(H,23,25,27)