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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-13-17(19(23)25-12-14-7-4-3-5-8-14)18(22-20(26)21-13)15-9-6-10-16(11-15)24-2/h3-11,18H,12H2,1-2H3,(H2,21,22,26)