ethyl (6S)-4-methyl-3-phenyl-2-sulfanylidene-6-(2,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-4-methyl-3-phenyl-2-sulfanylidene-6-(2,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-4-methyl-3-phenyl-2-thioxo-6-(2,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-methyl-3-phenyl-2-sulfanylidene-6-(2,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-4-methyl-3-phenyl-2-sulfanylidene-6-(2,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-asaryl-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2OC)OC)OC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC(=C(C=C2OC)OC)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C23H26N2O5S/c1-6-30-22(26)20-14(2)25(15-10-8-7-9-11-15)23(31)24-21(20)16-12-18(28-4)19(29-5)13-17(16)27-3/h7-13,21H,6H2,1-5H3,(H,24,31)/t21-/m0/s1