methyl (6R)-3-(4-ethoxyphenyl)-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(4-ethoxyphenyl)-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(4-ethoxyphenyl)-4-methyl-6-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(4-ethoxyphenyl)-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(4-ethoxyphenyl)-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-methyl-6-phenyl-3-p-phenetyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C([C@H](NC2=S)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H22N2O3S/c1-4-26-17-12-10-16(11-13-17)23-14(2)18(20(24)25-3)19(22-21(23)27)15-8-6-5-7-9-15/h5-13,19H,4H2,1-3H3,(H,22,27)/t19-/m1/s1