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

Systemtic Name: ethyl 4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S/c1-3-31-22(29)16-7-9-17(10-8-16)24-20(27)12-18-13-21(28)26-23(25-18)32-14-15-5-4-6-19(11-15)30-2/h4-11,13H,3,12,14H2,1-2H3,(H,24,27)(H,25,26,28)