ethyl 6-[5-(hydroxymethyl)furan-2-yl]-4-(3-hydroxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[5-(hydroxymethyl)furan-2-yl]-4-(3-hydroxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[5-(hydroxymethyl)-2-furyl]-4-(3-hydroxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[5-(hydroxymethyl)-2-furanyl]-4-(3-hydroxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[5-(hydroxymethyl)furan-2-yl]-4-(3-hydroxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-hydroxyphenyl)-6-(5-methylol-2-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C3=CC=C(O3)CO

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C3=CC=C(O3)CO

InChI

InChI=1S/C18H18N2O5S/c1-2-24-17(23)14-15(10-4-3-5-11(22)8-10)19-18(26)20-16(14)13-7-6-12(9-21)25-13/h3-8,15,21-22H,2,9H2,1H3,(H2,19,20,26)