ethyl (4R)-4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(3-chloro-5-ethoxy-4-propoxy-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-chloro-5-ethoxy-4-propoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(3-chloro-5-ethoxy-4-propoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-chloro-5-ethoxy-4-propoxy-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29ClN2O4S MolecularWeight: 440.98396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Cl)OCCC)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC(=C(C(=C2)Cl)OCCC)OCC)C(=O)OCC

InChI

InChI=1S/C21H29ClN2O4S/c1-5-9-15-17(20(25)27-8-4)18(24-21(29)23-15)13-11-14(22)19(28-10-6-2)16(12-13)26-7-3/h11-12,18H,5-10H2,1-4H3,(H2,23,24,29)/t18-/m1/s1