methyl 2-[5-chloranyl-4-(5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[5-chloranyl-4-(5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-(5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-5-chloro-2-methoxy-phenoxy]acetate CAS Name: 2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-5-chloro-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-5-chloro-2-methoxyphenoxy]acetate Traditional Name: 2-[4-(5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-5-chloro-2-methoxy-phenoxy]acetic acid methyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2Cl)OCC(=O)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2Cl)OCC(=O)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O5S/c1-12(26)19-20(13-7-5-4-6-8-13)24-22(31)25-21(19)14-9-16(28-2)17(10-15(14)23)30-11-18(27)29-3/h4-10,21H,11H2,1-3H3,(H2,24,25,31)