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

Systemtic Name: ethyl 4-[2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H23N3O4S2/c1-3-30-22(29)16-6-8-17(9-7-16)24-21(28)14-32-23-25-18(12-20(27)26-23)13-31-19-10-4-15(2)5-11-19/h4-12H,3,13-14H2,1-2H3,(H,24,28)(H,25,26,27)