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

Systemtic Name: methyl 6-methyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-benzyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-benzoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl 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)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

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