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

Systemtic Name: ethyl (6S)-6-(3-chloranyl-4,5-dimethoxy-phenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(3-chloro-4,5-dimethoxy-phenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(3-chloro-4,5-dimethoxyphenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(3-chloro-4,5-dimethoxyphenyl)-3-(3-ethoxypropyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(3-chloro-4,5-dimethoxy-phenyl)-3-(3-ethoxypropyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=CC(=C(C(=C2)Cl)OC)OC)C(=O)OCC)C

Isomeric SMILES

CCOCCCN1C(=C([C@@H](NC1=S)C2=CC(=C(C(=C2)Cl)OC)OC)C(=O)OCC)C

InChI

InChI=1S/C21H29ClN2O5S/c1-6-28-10-8-9-24-13(3)17(20(25)29-7-2)18(23-21(24)30)14-11-15(22)19(27-5)16(12-14)26-4/h11-12,18H,6-10H2,1-5H3,(H,23,30)/t18-/m0/s1