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

Systemtic Name: ethyl 4-[2-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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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)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-3-30-21(28)15-4-8-16(9-5-15)23-20(27)13-31-22-24-18(12-19(26)25-22)14-6-10-17(29-2)11-7-14/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,25,26)