(phenylmethyl) 6-(4-ethoxy-4-oxidanylidene-butyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-(4-ethoxy-4-oxidanylidene-butyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-(4-ethoxy-4-oxo-butyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(4-ethoxy-4-oxobutyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(4-ethoxy-4-oxobutyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(4-ethoxy-4-keto-butyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O4S/c1-2-23-16(21)10-6-9-15-14(11-19-18(25)20-15)17(22)24-12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H2,19,20,25)