(4-phenylmethoxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (4-phenylmethoxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4-benzyloxyphenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-phenylmethoxyphenyl)methyl ester IUPAC Name: (4-phenylmethoxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-benzoxybenzyl) ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-14-18(11-21-20(26)22-14)19(23)25-13-16-7-9-17(10-8-16)24-12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,21,22,26)