[(1S,2S)-2-methylcyclopentyl] (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [(1S,2S)-2-methylcyclopentyl] (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(1S,2S)-2-methylcyclopentyl] (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(1S,2S)-2-methylcyclopentyl] ester IUPAC Name: [(1S,2S)-2-methylcyclopentyl] (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(1S,2S)-2-methylcyclopentyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC1OC(=O)C2=C(NC(=S)NC2C3=C(C=CC(=C3)OC)OC)C

Isomeric SMILES

C[C@H]1CCC[C@@H]1OC(=O)C2=C(NC(=S)N[C@@H]2C3=C(C=CC(=C3)OC)OC)C

InChI

InChI=1S/C20H26N2O4S/c1-11-6-5-7-15(11)26-19(23)17-12(2)21-20(27)22-18(17)14-10-13(24-3)8-9-16(14)25-4/h8-11,15,18H,5-7H2,1-4H3,(H2,21,22,27)/t11-,15-,18+/m0/s1