ethyl 4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-2-29-21(28)16-8-10-17(11-9-16)23-19(26)12-18-13-20(27)25-22(24-18)30-14-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3,(H,23,26)(H,24,25,27)