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

Systemtic Name: ethyl (6S)-6-(4-ethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(4-ethoxyphenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-ethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(4-ethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-methyl-3-phenyl-6-p-phenetyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)C3=CC=CC=C3)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(=C(N(C(=S)N2)C3=CC=CC=C3)C)C(=O)OCC

InChI

InChI=1S/C22H24N2O3S/c1-4-26-18-13-11-16(12-14-18)20-19(21(25)27-5-2)15(3)24(22(28)23-20)17-9-7-6-8-10-17/h6-14,20H,4-5H2,1-3H3,(H,23,28)/t20-/m0/s1