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

Systemtic Name: 2-methoxyethyl (4R)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4R)-6-methyl-4-(3-phenoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-4-(3-phenoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCCOC

InChI

InChI=1S/C21H22N2O4S/c1-14-18(20(24)26-12-11-25-2)19(23-21(28)22-14)15-7-6-10-17(13-15)27-16-8-4-3-5-9-16/h3-10,13,19H,11-12H2,1-2H3,(H2,22,23,28)/t19-/m1/s1